3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C314H240 — CID 161191240

IUPAC3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESCC(C)(C)c1cc(-c2c3ccccc3c(-c3cc(C(C)(C)C)cc4ccc(C(C)(C)C)cc34)c3c2ccc2c4ccccc4ccc23)c2cc(C(C)(C)C)ccc2c1.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c3ccc3c5ccccc5ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)c5c4ccc4c6ccccc6ccc45)c3)cc21.CCC1(CC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)c4c3ccc3c5ccccc5ccc34)cc21.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4c3ccc3c5ccccc5ccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c3ccc3c5ccccc5ccc34)ccc2c1
InChIInChI=1S/C64H46.C58H58.C56H46.C52H38.2C42H26/c1-63(2)56-25-11-9-21-48(56)50-30-28-42(37-58(50)63)40-16-13-18-44(35-40)60-52-23-7-8-24-53(52)61(62-54-32-27-39-15-5-6-20-46(39)47(54)33-34-55(60)62)45-19-14-17-41(36-45)43-29-31-51-49-22-10-12-26-57(49)64(3,4)59(51)38-43;1-55(2,3)38-24-21-36-29-40(57(7,8)9)33-50(48(36)31-38)52-44-19-15-16-20-45(44)54(53-46-26-23-35-17-13-14-18-42(35)43(46)27-28-47(52)53)51-34-41(58(10,11)12)30-37-22-25-39(32-49(37)51)56(4,5)6;1-5-55(6-2)48-23-15-13-19-40(48)42-28-26-36(33-50(42)55)52-44-21-11-12-22-45(44)53(54-46-30-25-35-17-9-10-18-38(35)39(46)31-32-47(52)54)37-27-29-43-41-20-14-16-24-49(41)56(7-3,8-4)51(43)34-37;1-51(2)44-19-11-9-15-36(44)38-24-22-32(29-46(38)51)48-40-17-7-8-18-41(40)49(33-23-25-39-37-16-10-12-20-45(37)52(3,4)47(39)30-33)50-42-26-21-31-13-5-6-14-34(31)35(42)27-28-43(48)50;1-5-17-31-27(11-1)14-9-21-34(31)40-36-19-7-8-20-37(36)41(35-22-10-15-28-12-2-6-18-32(28)35)42-38-24-23-29-13-3-4-16-30(29)33(38)25-26-39(40)42;1-3-12-30-25-32(19-17-27(30)9-1)40-36-15-7-8-16-37(36)41(33-20-18-28-10-2-4-13-31(28)26-33)42-38-22-21-29-11-5-6-14-34(29)35(38)23-24-39(40)42/h5-38H,1-4H3;13-34H,1-12H3;9-34H,5-8H2,1-4H3;5-30H,1-4H3;2*1-26H
InChIKeyUTTDFNHBVAWWLI-UHFFFAOYSA-N
MW4013.37 g/mol
LogP88.64
Rot. Bonds18

About 3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 161191240) has the molecular formula C314H240 and a molecular weight of 4013.37 g/mol. Its IUPAC name is 3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
PubChem CID161191240
Molecular FormulaC314H240
Molecular Weight4013.37 g/mol
Exact Mass4009.88
IUPAC Name3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESCC(C)(C)c1cc(-c2c3ccccc3c(-c3cc(C(C)(C)C)cc4ccc(C(C)(C)C)cc34)c3c2ccc2c4ccccc4ccc23)c2cc(C(C)(C)C)ccc2c1.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c3ccc3c5ccccc5ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)c5c4ccc4c6ccccc6ccc45)c3)cc21.CCC1(CC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)c4c3ccc3c5ccccc5ccc34)cc21.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4c3ccc3c5ccccc5ccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c3ccc3c5ccccc5ccc34)ccc2c1
InChIInChI=1S/C64H46.C58H58.C56H46.C52H38.2C42H26/c1-63(2)56-25-11-9-21-48(56)50-30-28-42(37-58(50)63)40-16-13-18-44(35-40)60-52-23-7-8-24-53(52)61(62-54-32-27-39-15-5-6-20-46(39)47(54)33-34-55(60)62)45-19-14-17-41(36-45)43-29-31-51-49-22-10-12-26-57(49)64(3,4)59(51)38-43;1-55(2,3)38-24-21-36-29-40(57(7,8)9)33-50(48(36)31-38)52-44-19-15-16-20-45(44)54(53-46-26-23-35-17-13-14-18-42(35)43(46)27-28-47(52)53)51-34-41(58(10,11)12)30-37-22-25-39(32-49(37)51)56(4,5)6;1-5-55(6-2)48-23-15-13-19-40(48)42-28-26-36(33-50(42)55)52-44-21-11-12-22-45(44)53(54-46-30-25-35-17-9-10-18-38(35)39(46)31-32-47(52)54)37-27-29-43-41-20-14-16-24-49(41)56(7-3,8-4)51(43)34-37;1-51(2)44-19-11-9-15-36(44)38-24-22-32(29-46(38)51)48-40-17-7-8-18-41(40)49(33-23-25-39-37-16-10-12-20-45(37)52(3,4)47(39)30-33)50-42-26-21-31-13-5-6-14-34(31)35(42)27-28-43(48)50;1-5-17-31-27(11-1)14-9-21-34(31)40-36-19-7-8-20-37(36)41(35-22-10-15-28-12-2-6-18-32(28)35)42-38-24-23-29-13-3-4-16-30(29)33(38)25-26-39(40)42;1-3-12-30-25-32(19-17-27(30)9-1)40-36-15-7-8-16-37(36)41(33-20-18-28-10-2-4-13-31(28)26-33)42-38-22-21-29-11-5-6-14-34(29)35(38)23-24-39(40)42/h5-38H,1-4H3;13-34H,1-12H3;9-34H,5-8H2,1-4H3;5-30H,1-4H3;2*1-26H
InChIKeyUTTDFNHBVAWWLI-UHFFFAOYSA-N
XLogP88.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms314
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004013.37
LogP ≤ 588.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-tert-butyl-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 160870515
2-tert-butyl-9-naphthalen-1-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenanthren-1-ylanthracene;7,7-dimethyl-5-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene;9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-phenanthren-2-ylanthracene;6,6,12,12-tetramethyl-2-(10-phenanthren-2-ylanthracen-9-yl)indeno[1,2-b]fluorene;2,6,9-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene
CID 161324797
2,10-bis(9,9-dimethylfluoren-2-yl)-9-(3-naphthalen-2-ylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 162026897
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159441922
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 159327894
7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene
CID 158903518
9-(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 161365610
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;2,10-dinaphthalen-1-yl-9-phenylanthracene;10-naphthalen-1-yl-2,9-diphenylanthracene;10-naphthalen-2-yl-2,9-diphenylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene
CID 159206127
7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pyrene;1-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pyrene;1-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)pyrene;9,10-diphenyl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;3-(6-naphthalen-2-ylnaphthalen-2-yl)chrysene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(10-phenylanthracen-9-yl)anthracene;2-(6-phenylpyren-1-yl)triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-(3-triphenylen-2-ylphenyl)triphenylene
CID 164977935
2-tert-butyl-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-methyl-9,10-diphenylanthracene;2-naphthalen-1-yl-9,10-diphenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;2,9,10-triphenylanthracene
CID 162099902
2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;2,9-bis(9,9-dimethylfluoren-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-methylphenyl)-2-(4-phenylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene;9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-2-yl-9,10-di(phenanthren-9-yl)anthracene
CID 158885833
7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-2-ylbenzo[a]anthracene
CID 58535895

Frequently Asked Questions

What is the IUPAC name of 3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The IUPAC name of 3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 161191240) is 3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.
What is the SMILES notation for 3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The canonical SMILES for 3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is CC(C)(C)c1cc(-c2c3ccccc3c(-c3cc(C(C)(C)C)cc4ccc(C(C)(C)C)cc34)c3c2ccc2c4ccccc4ccc23)c2cc(C(C)(C)C)ccc2c1.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c3ccc3c5ccccc5ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)c5c4ccc4c6ccccc6ccc45)c3)cc21.CCC1(CC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)c4c3ccc3c5ccccc5ccc34)cc21.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4c3ccc3c5ccccc5ccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c3ccc3c5ccccc5ccc34)ccc2c1.
What is the InChIKey of 3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The InChIKey is UTTDFNHBVAWWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46.C58H58.C56H46.C52H38.2C42H26/c1-63(2)56-25-11-9-21-48(56)50-30-28-42(37-58(50)63)40-16-13-18-44(35-40)60-52-23-7-8-24-53(52)61(62-54-32-27-39-15-5-6-20-46(39)47(54)33-34-55(60)62)45-19-14-17-41(36-45)43-29-31-51-49-22-10-12-26-57(49)64(3,4)59(51)38-43;1-55(2,3)38-24-21-36-29-40(57(7,8)9)33-50(48(36)31-38)52-44-19-15-16-20-45(44)54(53-46-26-23-35-17-13-14-18-42(35)43(46)27-28-47(52)53)51-34-41(58(10,11)12)30-37-22-25-39(32-49(37)51)56(4,5)6;1-5-55(6-2)48-23-15-13-19-40(48)42-28-26-36(33-50(42)55)52-44-21-11-12-22-45(44)53(54-46-30-25-35-17-9-10-18-38(35)39(46)31-32-47(52)54)37-27-29-43-41-20-14-16-24-49(41)56(7-3,8-4)51(43)34-37;1-51(2)44-19-11-9-15-36(44)38-24-22-32(29-46(38)51)48-40-17-7-8-18-41(40)49(33-23-25-39-37-16-10-12-20-45(37)52(3,4)47(39)30-33)50-42-26-21-31-13-5-6-14-34(31)35(42)27-28-43(48)50;1-5-17-31-27(11-1)14-9-21-34(31)40-36-19-7-8-20-37(36)41(35-22-10-15-28-12-2-6-18-32(28)35)42-38-24-23-29-13-3-4-16-30(29)33(38)25-26-39(40)42;1-3-12-30-25-32(19-17-27(30)9-1)40-36-15-7-8-16-37(36)41(33-20-18-28-10-2-4-13-31(28)26-33)42-38-22-21-29-11-5-6-14-34(29)35(38)23-24-39(40)42/h5-38H,1-4H3;13-34H,1-12H3;9-34H,5-8H2,1-4H3;5-30H,1-4H3;2*1-26H.
What are the key properties of 3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 4013.37 g/mol, XLogP of 88.64, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(3,7-ditert-butylnaphthalen-1-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-diethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis(9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-1-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 161191240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).