6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole

C36H29N — CID 142551610

IUPAC6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole
SMILESCc1ccccc1-c1c(C)ccc2c1C1C=CC=CC1N2c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C36H29N/c1-24-9-3-6-12-31(24)35-25(2)15-22-34-36(35)32-13-7-8-14-33(32)37(34)30-20-18-27(19-21-30)29-17-16-26-10-4-5-11-28(26)23-29/h3-23,32-33H,1-2H3
InChIKeyJTHSAKJXJQOWQV-UHFFFAOYSA-N
MW475.64 g/mol
LogP9.52
Rot. Bonds3

About 6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole

6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole (PubChem CID 142551610) has the molecular formula C36H29N and a molecular weight of 475.64 g/mol. Its IUPAC name is 6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole
PubChem CID142551610
Molecular FormulaC36H29N
Molecular Weight475.64 g/mol
Exact Mass475.23
IUPAC Name6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole
SMILESCc1ccccc1-c1c(C)ccc2c1C1C=CC=CC1N2c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C36H29N/c1-24-9-3-6-12-31(24)35-25(2)15-22-34-36(35)32-13-7-8-14-33(32)37(34)30-20-18-27(19-21-30)29-17-16-26-10-4-5-11-28(26)23-29/h3-23,32-33H,1-2H3
InChIKeyJTHSAKJXJQOWQV-UHFFFAOYSA-N
XLogP9.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]phenyl]-N-[4-(9-naphthalen-2-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenylaniline
CID 89176587
9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 138743723
7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole
CID 130351173
9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole
CID 175616668
22-(5-methyl-5,6-dihydrophenanthren-9-yl)-8-(4-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene
CID 129301367
9-(4-methylphenyl)-4a,9a-dihydrocarbazole
CID 70834076
3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole
CID 145064061
9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
CID 118490775
9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole
CID 70669587
6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole
CID 167230365
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
14-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 121400683

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole?
The IUPAC name of 6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole (CID 142551610) is 6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole.
What is the SMILES notation for 6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole?
The canonical SMILES for 6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole is Cc1ccccc1-c1c(C)ccc2c1C1C=CC=CC1N2c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole?
The InChIKey is JTHSAKJXJQOWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N/c1-24-9-3-6-12-31(24)35-25(2)15-22-34-36(35)32-13-7-8-14-33(32)37(34)30-20-18-27(19-21-30)29-17-16-26-10-4-5-11-28(26)23-29/h3-23,32-33H,1-2H3.
What are the key properties of 6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole?
6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole has a molecular weight of 475.64 g/mol, XLogP of 9.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole is sourced from PubChem (CID 142551610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).