9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole

C45H40N2 — CID 146581716

IUPAC9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
SMILESCC1(C)c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)c4)c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C45H40N2/c1-43(2)37-27-36-35-20-12-15-23-41(35)47(42(36)28-38(37)44(3,4)45(43,5)6)32-25-30(29-16-8-7-9-17-29)24-31(26-32)46-39-21-13-10-18-33(39)34-19-11-14-22-40(34)46/h7-28H,1-6H3
InChIKeyUJCKRCYREVTICB-UHFFFAOYSA-N
MW608.83 g/mol
LogP12.14
Rot. Bonds3

About 9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole

9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole (PubChem CID 146581716) has the molecular formula C45H40N2 and a molecular weight of 608.83 g/mol. Its IUPAC name is 9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
PubChem CID146581716
Molecular FormulaC45H40N2
Molecular Weight608.83 g/mol
Exact Mass608.32
IUPAC Name9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
SMILESCC1(C)c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)c4)c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C45H40N2/c1-43(2)37-27-36-35-20-12-15-23-41(35)47(42(36)28-38(37)44(3,4)45(43,5)6)32-25-30(29-16-8-7-9-17-29)24-31(26-32)46-39-21-13-10-18-33(39)34-19-11-14-22-40(34)46/h7-28H,1-6H3
InChIKeyUJCKRCYREVTICB-UHFFFAOYSA-N
XLogP12.14
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.83
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3,5-bis(3-phenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-carbazol-9-yl-5-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-(3,5-diphenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-(3,5-diphenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 158382365
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598868
1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole
CID 126598422
9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 126598362
6-[4-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)phenyl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598851
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177087294
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[4-[4-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[4-[4-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 158360719
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene
CID 126598951
6-[3-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)phenyl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598816

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole?
The IUPAC name of 9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole (CID 146581716) is 9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole.
What is the SMILES notation for 9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole?
The canonical SMILES for 9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole is CC1(C)c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)c4)c3cc2C(C)(C)C1(C)C.
What is the InChIKey of 9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole?
The InChIKey is UJCKRCYREVTICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H40N2/c1-43(2)37-27-36-35-20-12-15-23-41(35)47(42(36)28-38(37)44(3,4)45(43,5)6)32-25-30(29-16-8-7-9-17-29)24-31(26-32)46-39-21-13-10-18-33(39)34-19-11-14-22-40(34)46/h7-28H,1-6H3.
What are the key properties of 9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole?
9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole has a molecular weight of 608.83 g/mol, XLogP of 12.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole is sourced from PubChem (CID 146581716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).