6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole

C38H31N — CID 167230365

IUPAC6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)C2=CC=CCC2N3c2ccc(-c3ccccc3)cc2)ccc1C
InChIInChI=1S/C38H31N/c1-26-10-6-7-13-33(26)35-24-30(17-16-27(35)2)31-20-23-38-36(25-31)34-14-8-9-15-37(34)39(38)32-21-18-29(19-22-32)28-11-4-3-5-12-28/h3-14,16-25,37H,15H2,1-2H3
InChIKeyQMAWEIZFHHNSFY-UHFFFAOYSA-N
MW501.67 g/mol
LogP10.17
Rot. Bonds4

About 6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole

6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole (PubChem CID 167230365) has the molecular formula C38H31N and a molecular weight of 501.67 g/mol. Its IUPAC name is 6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole.

Molecular Properties

Compound Name6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole
PubChem CID167230365
Molecular FormulaC38H31N
Molecular Weight501.67 g/mol
Exact Mass501.25
IUPAC Name6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)C2=CC=CCC2N3c2ccc(-c3ccccc3)cc2)ccc1C
InChIInChI=1S/C38H31N/c1-26-10-6-7-13-33(26)35-24-30(17-16-27(35)2)31-20-23-38-36(25-31)34-14-8-9-15-37(34)39(38)32-21-18-29(19-22-32)28-11-4-3-5-12-28/h3-14,16-25,37H,15H2,1-2H3
InChIKeyQMAWEIZFHHNSFY-UHFFFAOYSA-N
XLogP10.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole
CID 91156957
9-[4-[4-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1,9a-dihydrocarbazole
CID 143136477
9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole
CID 166917692
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
3-phenyl-9-[10-[9-[10-(6-phenyl-1,9a-dihydrocarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]carbazole
CID 163496635
9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
CID 90337088
2-[5-(1,9a-dihydrocarbazol-9-yl)-2-phenylcarbazol-9-yl]cyclohexa-2,4-diene-1-carbonitrile
CID 146518397
methane;1-methyl-4-(4-methylphenyl)-2-(2-phenylphenyl)benzene
CID 144583638
bis(1-methylnaphthalene);7-[2-(4-methylphenyl)phenyl]-9-naphtho[2,1-b][1]benzothiol-10-yl-1,9a-dihydrocarbazole
CID 144907493
(E)-3-[5-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-3,4-dimethylthiophen-2-yl]-2-(iodomethyl)prop-2-enenitrile
CID 89196905
6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile
CID 155470987
7-[2-(4-methylphenyl)phenyl]-9-naphtho[2,1-b][1]benzothiol-10-yl-1,9a-dihydrocarbazole
CID 144907494

Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole?
The IUPAC name of 6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole (CID 167230365) is 6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole.
What is the SMILES notation for 6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole?
The canonical SMILES for 6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole is Cc1ccccc1-c1cc(-c2ccc3c(c2)C2=CC=CCC2N3c2ccc(-c3ccccc3)cc2)ccc1C.
What is the InChIKey of 6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole?
The InChIKey is QMAWEIZFHHNSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N/c1-26-10-6-7-13-33(26)35-24-30(17-16-27(35)2)31-20-23-38-36(25-31)34-14-8-9-15-37(34)39(38)32-21-18-29(19-22-32)28-11-4-3-5-12-28/h3-14,16-25,37H,15H2,1-2H3.
What are the key properties of 6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole?
6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole has a molecular weight of 501.67 g/mol, XLogP of 10.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole is sourced from PubChem (CID 167230365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).