9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole

C30H22N2 — CID 155323557

IUPAC9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C2C=C1
InChIInChI=1S/C30H22N2/c1-5-13-27-23(9-1)24-10-2-6-14-28(24)31(27)21-17-19-22(20-18-21)32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-20,23,27H
InChIKeyLENJOJYTMVOTLU-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.51
Rot. Bonds2

About 9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole

9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole (PubChem CID 155323557) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
PubChem CID155323557
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C2C=C1
InChIInChI=1S/C30H22N2/c1-5-13-27-23(9-1)24-10-2-6-14-28(24)31(27)21-17-19-22(20-18-21)32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-20,23,27H
InChIKeyLENJOJYTMVOTLU-UHFFFAOYSA-N
XLogP7.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[[3-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]methyl]-5-[(4-carbazol-9-ylphenyl)methyl]phenyl]methyl]phenyl]carbazole
CID 70971569
9-[4-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 139471437
9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole
CID 70669587
3-N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-1-N-(4-carbazol-9-ylphenyl)-2,4,6-trimethyl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87664499
10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole
CID 163728955
5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-7-(4-carbazol-9-ylphenyl)-6H-1,4-diazepine-2,3-dicarbonitrile
CID 71158640
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole
CID 129145906
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
9-(4-methylphenyl)-4a,9a-dihydrocarbazole
CID 70834076
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
CID 118490775
4-(4a,9a-dihydrocarbazol-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]aniline
CID 146413450

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole (CID 155323557) is 9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole is C1=CC2c3ccccc3N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C2C=C1.
What is the InChIKey of 9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole?
The InChIKey is LENJOJYTMVOTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-5-13-27-23(9-1)24-10-2-6-14-28(24)31(27)21-17-19-22(20-18-21)32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-20,23,27H.
What are the key properties of 9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole?
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole has a molecular weight of 410.52 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 155323557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).