3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole

C26H23N — CID 146386930

IUPAC3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
SMILESCc1ccc(C2=Cc3c(n(-c4ccc(C)cc4)c4ccccc34)CC2)cc1
InChIInChI=1S/C26H23N/c1-18-7-11-20(12-8-18)21-13-16-26-24(17-21)23-5-3-4-6-25(23)27(26)22-14-9-19(2)10-15-22/h3-12,14-15,17H,13,16H2,1-2H3
InChIKeyADYHLKZEZDLKDS-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.73
Rot. Bonds2

About 3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole

3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole (PubChem CID 146386930) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole.

Molecular Properties

Compound Name3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
PubChem CID146386930
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
SMILESCc1ccc(C2=Cc3c(n(-c4ccc(C)cc4)c4ccccc34)CC2)cc1
InChIInChI=1S/C26H23N/c1-18-7-11-20(12-8-18)21-13-16-26-24(17-21)23-5-3-4-6-25(23)27(26)22-14-9-19(2)10-15-22/h3-12,14-15,17H,13,16H2,1-2H3
InChIKeyADYHLKZEZDLKDS-UHFFFAOYSA-N
XLogP6.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole
CID 144780313
4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
CID 163457269
9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole
CID 118534055
3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole
CID 142356487
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole
CID 69285159
9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole
CID 70661535
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-[4-[2-[(1Z)-buta-1,3-dienyl]phenyl]-3-(2-methylphenyl)phenyl]-9-triphenylen-2-yl-1,2-dihydrocarbazole
CID 170137861
9-[4-[5-[5-[4-(3,6-dimethyl-1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole
CID 163762586
6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol
CID 144911620

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole?
The IUPAC name of 3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole (CID 146386930) is 3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole.
What is the SMILES notation for 3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole?
The canonical SMILES for 3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole is Cc1ccc(C2=Cc3c(n(-c4ccc(C)cc4)c4ccccc34)CC2)cc1.
What is the InChIKey of 3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole?
The InChIKey is ADYHLKZEZDLKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-18-7-11-20(12-8-18)21-13-16-26-24(17-21)23-5-3-4-6-25(23)27(26)22-14-9-19(2)10-15-22/h3-12,14-15,17H,13,16H2,1-2H3.
What are the key properties of 3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole?
3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole has a molecular weight of 349.48 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole is sourced from PubChem (CID 146386930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).