6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole

C37H28N2 — CID 166670155

IUPAC6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
SMILESCC1CC=Cc2c1n(-c1cccc(-c3ccccc3)c1)c1ccc(-c3ccc4[nH]c5ccccc5c4c3)cc21
InChIInChI=1S/C37H28N2/c1-24-9-7-15-31-33-23-28(27-17-19-35-32(22-27)30-14-5-6-16-34(30)38-35)18-20-36(33)39(37(24)31)29-13-8-12-26(21-29)25-10-3-2-4-11-25/h2-8,10-24,38H,9H2,1H3
InChIKeyZSWKZPMRPJHSQF-UHFFFAOYSA-N
MW500.65 g/mol
LogP10.12
Rot. Bonds3

About 6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole

6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole (PubChem CID 166670155) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole.

Molecular Properties

Compound Name6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
PubChem CID166670155
Molecular FormulaC37H28N2
Molecular Weight500.65 g/mol
Exact Mass500.23
IUPAC Name6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
SMILESCC1CC=Cc2c1n(-c1cccc(-c3ccccc3)c1)c1ccc(-c3ccc4[nH]c5ccccc5c4c3)cc21
InChIInChI=1S/C37H28N2/c1-24-9-7-15-31-33-23-28(27-17-19-35-32(22-27)30-14-5-6-16-34(30)38-35)18-20-36(33)39(37(24)31)29-13-8-12-26(21-29)25-10-3-2-4-11-25/h2-8,10-24,38H,9H2,1H3
InChIKeyZSWKZPMRPJHSQF-UHFFFAOYSA-N
XLogP10.12
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 510.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 122652205
15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 163836477
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde
CID 155015317
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 59306592
18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene
CID 121355649
4-[5-[3-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-7H-indolo[2,3-b]carbazol-2-yl]-N,2-diphenylaniline
CID 121344049
9-[3-(2-tert-butyl-4,4-dimethylpentyl)phenyl]-6-[8-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole
CID 144650257
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
10-(9H-carbazol-3-yl)-5,7-diphenylbenzo[c]carbazole
CID 147230918
11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole
CID 134535308
9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole
CID 70661535

Frequently Asked Questions

What is the IUPAC name of 6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole?
The IUPAC name of 6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole (CID 166670155) is 6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole.
What is the SMILES notation for 6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole?
The canonical SMILES for 6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole is CC1CC=Cc2c1n(-c1cccc(-c3ccccc3)c1)c1ccc(-c3ccc4[nH]c5ccccc5c4c3)cc21.
What is the InChIKey of 6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole?
The InChIKey is ZSWKZPMRPJHSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2/c1-24-9-7-15-31-33-23-28(27-17-19-35-32(22-27)30-14-5-6-16-34(30)38-35)18-20-36(33)39(37(24)31)29-13-8-12-26(21-29)25-10-3-2-4-11-25/h2-8,10-24,38H,9H2,1H3.
What are the key properties of 6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole?
6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole has a molecular weight of 500.65 g/mol, XLogP of 10.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole is sourced from PubChem (CID 166670155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).