7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole

C35H27N — CID 144907676

IUPAC7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole
SMILESCc1cccc(-c2ccccc2-c2ccc3c(c2)N(c2ccc4ccccc4c2)C2=CC=CCC23)c1
InChIInChI=1S/C35H27N/c1-24-9-8-12-27(21-24)30-13-4-5-14-31(30)28-18-20-33-32-15-6-7-16-34(32)36(35(33)23-28)29-19-17-25-10-2-3-11-26(25)22-29/h2-14,16-23,32H,15H2,1H3
InChIKeyGZUMLPNJZIDHTB-UHFFFAOYSA-N
MW461.61 g/mol
LogP9.56
Rot. Bonds3

About 7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole

7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole (PubChem CID 144907676) has the molecular formula C35H27N and a molecular weight of 461.61 g/mol. Its IUPAC name is 7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole.

Molecular Properties

Compound Name7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole
PubChem CID144907676
Molecular FormulaC35H27N
Molecular Weight461.61 g/mol
Exact Mass461.21
IUPAC Name7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole
SMILESCc1cccc(-c2ccccc2-c2ccc3c(c2)N(c2ccc4ccccc4c2)C2=CC=CCC23)c1
InChIInChI=1S/C35H27N/c1-24-9-8-12-27(21-24)30-13-4-5-14-31(30)28-18-20-33-32-15-6-7-16-34(32)36(35(33)23-28)29-19-17-25-10-2-3-11-26(25)22-29/h2-14,16-23,32H,15H2,1H3
InChIKeyGZUMLPNJZIDHTB-UHFFFAOYSA-N
XLogP9.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline
CID 144907550
7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole
CID 144892771
11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole
CID 145080000
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
ethane;9-[4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-7-[4-(2-phenylcycloprop-2-en-1-yl)phenyl]-4,4a-dihydrocarbazole;1-phenylethenamine;toluene
CID 144785421
9-phenyl-4,4a-dihydrocarbazole
CID 139382101
7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]-1,12b-dihydroindeno[2,1-b]carbazole
CID 88941278
6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628
3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 167134855
[(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine
CID 145340721
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 167169670
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole?
The IUPAC name of 7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole (CID 144907676) is 7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole.
What is the SMILES notation for 7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole?
The canonical SMILES for 7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole is Cc1cccc(-c2ccccc2-c2ccc3c(c2)N(c2ccc4ccccc4c2)C2=CC=CCC23)c1.
What is the InChIKey of 7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole?
The InChIKey is GZUMLPNJZIDHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N/c1-24-9-8-12-27(21-24)30-13-4-5-14-31(30)28-18-20-33-32-15-6-7-16-34(32)36(35(33)23-28)29-19-17-25-10-2-3-11-26(25)22-29/h2-14,16-23,32H,15H2,1H3.
What are the key properties of 7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole?
7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole has a molecular weight of 461.61 g/mol, XLogP of 9.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole is sourced from PubChem (CID 144907676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).