12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene

C149H102 — CID 161088347

IUPAC12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene
SMILESCC1(C)c2c(ccc3cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)ccc23)-c2ccc3cc(-c4cccc5ccccc45)ccc3c21.CC1(C)c2c(ccc3ccccc23)-c2ccc3ccc(-c4cc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)c5ccccc5c4)cc3c21.CC1(C)c2cc3ccccc3cc2-c2ccc3cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)ccc3c21
InChIInChI=1S/2C53H36.C43H30/c1-53(2)51-46-14-8-5-10-34(46)23-25-47(51)48-26-24-35-16-18-41(31-50(35)52(48)53)44-30-42-12-6-7-13-45(42)49(32-44)43-22-21-39-28-38(19-20-40(39)29-43)37-17-15-33-9-3-4-11-36(33)27-37;1-53(2)51-47-24-20-41(40-19-18-38-29-37(16-17-39(38)30-40)36-15-14-33-8-3-4-10-35(33)28-36)31-43(47)22-26-49(51)50-27-23-44-32-42(21-25-48(44)52(50)53)46-13-7-11-34-9-5-6-12-45(34)46;1-43(2)41-26-30-10-6-5-9-29(30)25-40(41)39-20-18-37-24-36(17-19-38(37)42(39)43)35-16-15-33-22-32(13-14-34(33)23-35)31-12-11-27-7-3-4-8-28(27)21-31/h2*3-32H,1-2H3;3-26H,1-2H3
InChIKeyUGVHEOUOYKTMGD-UHFFFAOYSA-N
MW1892.45 g/mol
LogP41.46
Rot. Bonds8

About 12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene

12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene (PubChem CID 161088347) has the molecular formula C149H102 and a molecular weight of 1892.45 g/mol. Its IUPAC name is 12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene.

Molecular Properties

Compound Name12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene
PubChem CID161088347
Molecular FormulaC149H102
Molecular Weight1892.45 g/mol
Exact Mass1890.80
IUPAC Name12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene
SMILESCC1(C)c2c(ccc3cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)ccc23)-c2ccc3cc(-c4cccc5ccccc45)ccc3c21.CC1(C)c2c(ccc3ccccc23)-c2ccc3ccc(-c4cc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)c5ccccc5c4)cc3c21.CC1(C)c2cc3ccccc3cc2-c2ccc3cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)ccc3c21
InChIInChI=1S/2C53H36.C43H30/c1-53(2)51-46-14-8-5-10-34(46)23-25-47(51)48-26-24-35-16-18-41(31-50(35)52(48)53)44-30-42-12-6-7-13-45(42)49(32-44)43-22-21-39-28-38(19-20-40(39)29-43)37-17-15-33-9-3-4-11-36(33)27-37;1-53(2)51-47-24-20-41(40-19-18-38-29-37(16-17-39(38)30-40)36-15-14-33-8-3-4-10-35(33)28-36)31-43(47)22-26-49(51)50-27-23-44-32-42(21-25-48(44)52(50)53)46-13-7-11-34-9-5-6-12-45(34)46;1-43(2)41-26-30-10-6-5-9-29(30)25-40(41)39-20-18-37-24-36(17-19-38(37)42(39)43)35-16-15-33-22-32(13-14-34(33)23-35)31-12-11-27-7-3-4-8-28(27)21-31/h2*3-32H,1-2H3;3-26H,1-2H3
InChIKeyUGVHEOUOYKTMGD-UHFFFAOYSA-N
XLogP41.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001892.45
LogP ≤ 541.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene with MolForge

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Related Compounds

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CID 144938907
11,11-dimethyl-9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]benzo[a]fluorene
CID 163596374
5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene
CID 160895073
10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene
CID 140710765
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
9-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[a]fluorene;2-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[b]fluorene;9-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-7,7-dimethylbenzo[c]fluorene;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-11,11-dimethylbenzo[a]fluorene
CID 158851609
11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene
CID 140710807
11,11-dimethyl-2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-9-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene;11,11-dimethyl-9-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene;11,11-dimethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 159357464
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene
CID 162036114
8-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-11,11-dimethylbenzo[a]fluorene
CID 140724296
3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182253

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene?
The IUPAC name of 12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene (CID 161088347) is 12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene.
What is the SMILES notation for 12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene?
The canonical SMILES for 12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene is CC1(C)c2c(ccc3cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)ccc23)-c2ccc3cc(-c4cccc5ccccc45)ccc3c21.CC1(C)c2c(ccc3ccccc23)-c2ccc3ccc(-c4cc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)c5ccccc5c4)cc3c21.CC1(C)c2cc3ccccc3cc2-c2ccc3cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)ccc3c21.
What is the InChIKey of 12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene?
The InChIKey is UGVHEOUOYKTMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H36.C43H30/c1-53(2)51-46-14-8-5-10-34(46)23-25-47(51)48-26-24-35-16-18-41(31-50(35)52(48)53)44-30-42-12-6-7-13-45(42)49(32-44)43-22-21-39-28-38(19-20-40(39)29-43)37-17-15-33-9-3-4-11-36(33)27-37;1-53(2)51-47-24-20-41(40-19-18-38-29-37(16-17-39(38)30-40)36-15-14-33-8-3-4-10-35(33)28-36)31-43(47)22-26-49(51)50-27-23-44-32-42(21-25-48(44)52(50)53)46-13-7-11-34-9-5-6-12-45(34)46;1-43(2)41-26-30-10-6-5-9-29(30)25-40(41)39-20-18-37-24-36(17-19-38(37)42(39)43)35-16-15-33-22-32(13-14-34(33)23-35)31-12-11-27-7-3-4-8-28(27)21-31/h2*3-32H,1-2H3;3-26H,1-2H3.
What are the key properties of 12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene?
12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene has a molecular weight of 1892.45 g/mol, XLogP of 41.46, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene is sourced from PubChem (CID 161088347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).