5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene

C192H152 — CID 160999203

IUPAC5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3cc4c5c(ccc6cccc(c65)C4(C)C)c3)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)cc12
InChIInChI=1S/C52H44.C48H34.C47H38.C45H36/c1-50(2,3)49-40-20-11-10-19-38(40)48(37-21-14-16-31-15-8-9-17-34(31)37)39-26-24-32(27-43(39)49)33-23-25-36-42-30-46-41(29-47(42)52(6,7)45(36)28-33)35-18-12-13-22-44(35)51(46,4)5;1-48(2,3)47-42-18-7-6-17-39(42)46(34-19-8-13-29-12-4-5-16-32(29)34)41-25-24-31(28-43(41)47)33-26-27-40-37-21-10-15-30-14-9-20-36(44(30)37)38-23-11-22-35(33)45(38)40;1-46(2,3)45-37-21-11-10-20-35(37)43(33-23-14-16-29-15-6-7-17-31(29)33)36-26-25-30(27-40(36)45)39-28-42-44(34-19-9-8-18-32(34)39)38-22-12-13-24-41(38)47(42,4)5;1-44(2,3)43-36-17-9-8-16-34(36)42(33-18-10-13-27-12-6-7-15-32(27)33)35-23-22-29(25-37(35)43)31-24-30-21-20-28-14-11-19-38-40(28)41(30)39(26-31)45(38,4)5/h8-30H,1-7H3;4-28H,1-3H3;6-28H,1-5H3;6-26H,1-5H3
InChIKeyTVQIMYGXOWGAPB-UHFFFAOYSA-N
MW2459.33 g/mol
LogP54.18
Rot. Bonds8

About 5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene

5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene (PubChem CID 160999203) has the molecular formula C192H152 and a molecular weight of 2459.33 g/mol. Its IUPAC name is 5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene.

Molecular Properties

Compound Name5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene
PubChem CID160999203
Molecular FormulaC192H152
Molecular Weight2459.33 g/mol
Exact Mass2457.19
IUPAC Name5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3cc4c5c(ccc6cccc(c65)C4(C)C)c3)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)cc12
InChIInChI=1S/C52H44.C48H34.C47H38.C45H36/c1-50(2,3)49-40-20-11-10-19-38(40)48(37-21-14-16-31-15-8-9-17-34(31)37)39-26-24-32(27-43(39)49)33-23-25-36-42-30-46-41(29-47(42)52(6,7)45(36)28-33)35-18-12-13-22-44(35)51(46,4)5;1-48(2,3)47-42-18-7-6-17-39(42)46(34-19-8-13-29-12-4-5-16-32(29)34)41-25-24-31(28-43(41)47)33-26-27-40-37-21-10-15-30-14-9-20-36(44(30)37)38-23-11-22-35(33)45(38)40;1-46(2,3)45-37-21-11-10-20-35(37)43(33-23-14-16-29-15-6-7-17-31(29)33)36-26-25-30(27-40(36)45)39-28-42-44(34-19-9-8-18-32(34)39)38-22-12-13-24-41(38)47(42,4)5;1-44(2,3)43-36-17-9-8-16-34(36)42(33-18-10-13-27-12-6-7-15-32(27)33)35-23-22-29(25-37(35)43)31-24-30-21-20-28-14-11-19-38-40(28)41(30)39(26-31)45(38,4)5/h8-30H,1-7H3;4-28H,1-3H3;6-28H,1-5H3;6-26H,1-5H3
InChIKeyTVQIMYGXOWGAPB-UHFFFAOYSA-N
XLogP54.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002459.33
LogP ≤ 554.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene with MolForge

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Related Compounds

9-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene
CID 123996984
1-[4-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)phenyl]pyrene
CID 123992521
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7,14,21-trinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 158473087
18-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 123431893
2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene
CID 161344956
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
10,10-dimethyl-16-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123499931
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(6-phenylnaphthalen-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 159794467
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 157412657
1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene
CID 159148611

Frequently Asked Questions

What is the IUPAC name of 5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene?
The IUPAC name of 5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene (CID 160999203) is 5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene.
What is the SMILES notation for 5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene?
The canonical SMILES for 5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene is CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3cc4c5c(ccc6cccc(c65)C4(C)C)c3)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)cc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)cc12.
What is the InChIKey of 5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene?
The InChIKey is TVQIMYGXOWGAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44.C48H34.C47H38.C45H36/c1-50(2,3)49-40-20-11-10-19-38(40)48(37-21-14-16-31-15-8-9-17-34(31)37)39-26-24-32(27-43(39)49)33-23-25-36-42-30-46-41(29-47(42)52(6,7)45(36)28-33)35-18-12-13-22-44(35)51(46,4)5;1-48(2,3)47-42-18-7-6-17-39(42)46(34-19-8-13-29-12-4-5-16-32(29)34)41-25-24-31(28-43(41)47)33-26-27-40-37-21-10-15-30-14-9-20-36(44(30)37)38-23-11-22-35(33)45(38)40;1-46(2,3)45-37-21-11-10-20-35(37)43(33-23-14-16-29-15-6-7-17-31(29)33)36-26-25-30(27-40(36)45)39-28-42-44(34-19-9-8-18-32(34)39)38-22-12-13-24-41(38)47(42,4)5;1-44(2,3)43-36-17-9-8-16-34(36)42(33-18-10-13-27-12-6-7-15-32(27)33)35-23-22-29(25-37(35)43)31-24-30-21-20-28-14-11-19-38-40(28)41(30)39(26-31)45(38,4)5/h8-30H,1-7H3;4-28H,1-3H3;6-28H,1-5H3;6-26H,1-5H3.
What are the key properties of 5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene?
5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene has a molecular weight of 2459.33 g/mol, XLogP of 54.18, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)perylene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene is sourced from PubChem (CID 160999203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).