3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole

C36H30N2 — CID 129022416

IUPAC3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole
SMILESC1=CC2=C(CC1)NC1C=C(C3C=Cc4c(c5ccccc5n4-c4cccc(-c5ccccc5)c4)C3)C=CC21
InChIInChI=1S/C36H30N2/c1-2-9-24(10-3-1)25-11-8-12-28(21-25)38-35-16-7-5-14-31(35)32-22-26(18-20-36(32)38)27-17-19-30-29-13-4-6-15-33(29)37-34(30)23-27/h1-5,7-14,16-21,23,26,30,34,37H,6,15,22H2
InChIKeyFKVJDMNCBPRCKO-UHFFFAOYSA-N
MW490.65 g/mol
LogP8.17
Rot. Bonds3

About 3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole

3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole (PubChem CID 129022416) has the molecular formula C36H30N2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole.

Molecular Properties

Compound Name3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole
PubChem CID129022416
Molecular FormulaC36H30N2
Molecular Weight490.65 g/mol
Exact Mass490.24
IUPAC Name3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole
SMILESC1=CC2=C(CC1)NC1C=C(C3C=Cc4c(c5ccccc5n4-c4cccc(-c5ccccc5)c4)C3)C=CC21
InChIInChI=1S/C36H30N2/c1-2-9-24(10-3-1)25-11-8-12-28(21-25)38-35-16-7-5-14-31(35)32-22-26(18-20-36(32)38)27-17-19-30-29-13-4-6-15-33(29)37-34(30)23-27/h1-5,7-14,16-21,23,26,30,34,37H,6,15,22H2
InChIKeyFKVJDMNCBPRCKO-UHFFFAOYSA-N
XLogP8.17
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 146356785
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
CID 166696096
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
3-[9-[3,5-bis(3-fluorophenyl)phenyl]-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163674925
9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole
CID 145085569
9-[3-[6-[3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)phenyl]-1,8-diphenylphenanthren-3-yl]phenyl]-3,6-diphenylcarbazole
CID 89046059
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
9-[3-(1,3,5-triazin-2-yl)phenyl]-3,4-dihydrocarbazole
CID 175358566
9-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methyl-3,4-dihydrocarbazole
CID 166917192
5-[3-[3-(8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 154556268

Frequently Asked Questions

What is the IUPAC name of 3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole?
The IUPAC name of 3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole (CID 129022416) is 3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole.
What is the SMILES notation for 3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole?
The canonical SMILES for 3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole is C1=CC2=C(CC1)NC1C=C(C3C=Cc4c(c5ccccc5n4-c4cccc(-c5ccccc5)c4)C3)C=CC21.
What is the InChIKey of 3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole?
The InChIKey is FKVJDMNCBPRCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2/c1-2-9-24(10-3-1)25-11-8-12-28(21-25)38-35-16-7-5-14-31(35)32-22-26(18-20-36(32)38)27-17-19-30-29-13-4-6-15-33(29)37-34(30)23-27/h1-5,7-14,16-21,23,26,30,34,37H,6,15,22H2.
What are the key properties of 3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole?
3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole has a molecular weight of 490.65 g/mol, XLogP of 8.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole is sourced from PubChem (CID 129022416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).