N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine

C41H32N2 — CID 71024477

IUPACN-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
SMILESCc1cc(N(c2ccccc2)c2ccc3ccccc3c2)ccc1-c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1
InChIInChI=1S/C41H32N2/c1-29-27-35(42(33-13-3-2-4-14-33)36-24-19-30-11-5-6-12-32(30)28-36)25-26-37(29)31-20-22-34(23-21-31)43-40-17-9-7-15-38(40)39-16-8-10-18-41(39)43/h2-7,9-15,17-28H,8,16H2,1H3
InChIKeyLQSAXKUADBPXPC-UHFFFAOYSA-N
MW552.72 g/mol
LogP11.19
Rot. Bonds5

About N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine

N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine (PubChem CID 71024477) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
PubChem CID71024477
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC NameN-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
SMILESCc1cc(N(c2ccccc2)c2ccc3ccccc3c2)ccc1-c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1
InChIInChI=1S/C41H32N2/c1-29-27-35(42(33-13-3-2-4-14-33)36-24-19-30-11-5-6-12-32(30)28-36)25-26-37(29)31-20-22-34(23-21-31)43-40-17-9-7-15-38(40)39-16-8-10-18-41(39)43/h2-7,9-15,17-28H,8,16H2,1H3
InChIKeyLQSAXKUADBPXPC-UHFFFAOYSA-N
XLogP11.19
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 511.19
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
CID 71097259
9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine
CID 135128967
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311526
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 145157990
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;3-methyl-N-(3-methylphenyl)-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline;4-(9-naphthalen-2-ylcarbazol-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-naphthalen-2-yl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;4-naphthalen-2-yl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 160721166
N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 167194900
N-[4-[6,7-diphenyl-9-[4-(N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxalin-4-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 170245968
3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole
CID 118587825

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine (CID 71024477) is N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine is Cc1cc(N(c2ccccc2)c2ccc3ccccc3c2)ccc1-c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1.
What is the InChIKey of N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is LQSAXKUADBPXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-29-27-35(42(33-13-3-2-4-14-33)36-24-19-30-11-5-6-12-32(30)28-36)25-26-37(29)31-20-22-34(23-21-31)43-40-17-9-7-15-38(40)39-16-8-10-18-41(39)43/h2-7,9-15,17-28H,8,16H2,1H3.
What are the key properties of N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine?
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 552.72 g/mol, XLogP of 11.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 71024477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).