9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene

C47H39N — CID 142551564

IUPAC9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene
SMILESCc1ccc2ccccc2c1.Cc1ccccc1-c1c(C)ccc2c3ccccc3n(-c3ccc(C4=CC=C5C=CC=CC5C4)cc3)c12
InChIInChI=1S/C36H29N.C11H10/c1-24-9-3-6-12-31(24)35-25(2)15-22-33-32-13-7-8-14-34(32)37(36(33)35)30-20-18-27(19-21-30)29-17-16-26-10-4-5-11-28(26)23-29;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-22,28H,23H2,1-2H3;2-8H,1H3
InChIKeyRUIRCDDAVZHNBB-UHFFFAOYSA-N
MW617.84 g/mol
LogP12.67
Rot. Bonds3

About 9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene

9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene (PubChem CID 142551564) has the molecular formula C47H39N and a molecular weight of 617.84 g/mol. Its IUPAC name is 9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene.

Molecular Properties

Compound Name9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene
PubChem CID142551564
Molecular FormulaC47H39N
Molecular Weight617.84 g/mol
Exact Mass617.31
IUPAC Name9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene
SMILESCc1ccc2ccccc2c1.Cc1ccccc1-c1c(C)ccc2c3ccccc3n(-c3ccc(C4=CC=C5C=CC=CC5C4)cc3)c12
InChIInChI=1S/C36H29N.C11H10/c1-24-9-3-6-12-31(24)35-25(2)15-22-33-32-13-7-8-14-34(32)37(36(33)35)30-20-18-27(19-21-30)29-17-16-26-10-4-5-11-28(26)23-29;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-22,28H,23H2,1-2H3;2-8H,1H3
InChIKeyRUIRCDDAVZHNBB-UHFFFAOYSA-N
XLogP12.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.84
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 88908967
9-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58876173
5-phenyl-2-[6-(5-phenyl-6,6a-dihydrobenzo[b]carbazol-2-yl)pyren-1-yl]benzo[b]carbazole
CID 163976938
12-(4-methylphenyl)-7H-indeno[1,2-a]carbazole
CID 159826504
10-(1,8a-dihydronaphthalen-2-yl)-2-[4-(2-fluoropropan-2-yl)cyclohexa-1,5-dien-1-yl]-9-(4-methylcyclohexa-1,3-dien-1-yl)anthracene
CID 139381238
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
10-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 134552566
9-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;2-[3-(10-methylanthracen-9-yl)phenyl]-9,10-dinaphthalen-2-ylanthracene;9-(6-methylnaphthalen-2-yl)carbazole
CID 159091690
9-[4-[(2E,3E)-2,3-di(ethylidene)-4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]phenyl]carbazole;ethane
CID 143444904
1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
CID 166037123
3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 131969747
6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole
CID 142551610

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene?
The IUPAC name of 9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene (CID 142551564) is 9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene.
What is the SMILES notation for 9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene?
The canonical SMILES for 9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene is Cc1ccc2ccccc2c1.Cc1ccccc1-c1c(C)ccc2c3ccccc3n(-c3ccc(C4=CC=C5C=CC=CC5C4)cc3)c12.
What is the InChIKey of 9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene?
The InChIKey is RUIRCDDAVZHNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N.C11H10/c1-24-9-3-6-12-31(24)35-25(2)15-22-33-32-13-7-8-14-34(32)37(36(33)35)30-20-18-27(19-21-30)29-17-16-26-10-4-5-11-28(26)23-29;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-22,28H,23H2,1-2H3;2-8H,1H3.
What are the key properties of 9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene?
9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene has a molecular weight of 617.84 g/mol, XLogP of 12.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene is sourced from PubChem (CID 142551564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).