9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole

C38H32N2 — CID 146232531

IUPAC9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole
SMILESCC1=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2C)CCC(n2c3c(c4ccccc42)CCC=C3)=C1
InChIInChI=1S/C38H32N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-5,7-13,15-19,21,23-24H,6,14,20,22H2,1-2H3
InChIKeyMUIVSAXQYUDYLI-UHFFFAOYSA-N
MW516.69 g/mol
LogP10.11
Rot. Bonds3

About 9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole

9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole (PubChem CID 146232531) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole
PubChem CID146232531
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole
SMILESCC1=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2C)CCC(n2c3c(c4ccccc42)CCC=C3)=C1
InChIInChI=1S/C38H32N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-5,7-13,15-19,21,23-24H,6,14,20,22H2,1-2H3
InChIKeyMUIVSAXQYUDYLI-UHFFFAOYSA-N
XLogP10.11
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
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N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane
CID 147490956
9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
CID 174292944
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
CID 71024477
3-[2-methyl-4-(5-phenyl-8,9-dihydroindolo[3,2-b]indol-10-yl)phenyl]-5-[2-methyl-4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]-1,2-oxazole
CID 163878169
9-[4-[[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole?
The IUPAC name of 9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole (CID 146232531) is 9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole?
The canonical SMILES for 9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole is CC1=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2C)CCC(n2c3c(c4ccccc42)CCC=C3)=C1.
What is the InChIKey of 9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole?
The InChIKey is MUIVSAXQYUDYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-5,7-13,15-19,21,23-24H,6,14,20,22H2,1-2H3.
What are the key properties of 9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole?
9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole has a molecular weight of 516.69 g/mol, XLogP of 10.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole is sourced from PubChem (CID 146232531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).