6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine

C52H37NO — CID 166812328

IUPAC6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine
SMILESCC1Oc2c(cccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc2)-c2ccccc21
InChIInChI=1S/C52H37NO/c1-35-42-17-7-8-19-47(42)50-23-12-24-51(52(50)54-35)53(40-29-25-38(26-30-40)44-22-11-16-37-15-5-6-18-43(37)44)41-31-27-39(28-32-41)46-34-33-45(36-13-3-2-4-14-36)48-20-9-10-21-49(46)48/h2-35H,1H3
InChIKeyPXOWFHNSUYQJSL-UHFFFAOYSA-N
MW691.87 g/mol
LogP14.58
Rot. Bonds6

About 6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine

6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine (PubChem CID 166812328) has the molecular formula C52H37NO and a molecular weight of 691.87 g/mol. Its IUPAC name is 6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine.

Molecular Properties

Compound Name6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine
PubChem CID166812328
Molecular FormulaC52H37NO
Molecular Weight691.87 g/mol
Exact Mass691.29
IUPAC Name6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine
SMILESCC1Oc2c(cccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc2)-c2ccccc21
InChIInChI=1S/C52H37NO/c1-35-42-17-7-8-19-47(42)50-23-12-24-51(52(50)54-35)53(40-29-25-38(26-30-40)44-22-11-16-37-15-5-6-18-43(37)44)41-31-27-39(28-32-41)46-34-33-45(36-13-3-2-4-14-36)48-20-9-10-21-49(46)48/h2-35H,1H3
InChIKeyPXOWFHNSUYQJSL-UHFFFAOYSA-N
XLogP14.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.87
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779
10-naphthalen-1-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine
CID 176597453
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine?
The IUPAC name of 6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine (CID 166812328) is 6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine.
What is the SMILES notation for 6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine?
The canonical SMILES for 6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine is CC1Oc2c(cccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc2)-c2ccccc21.
What is the InChIKey of 6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine?
The InChIKey is PXOWFHNSUYQJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NO/c1-35-42-17-7-8-19-47(42)50-23-12-24-51(52(50)54-35)53(40-29-25-38(26-30-40)44-22-11-16-37-15-5-6-18-43(37)44)41-31-27-39(28-32-41)46-34-33-45(36-13-3-2-4-14-36)48-20-9-10-21-49(46)48/h2-35H,1H3.
What are the key properties of 6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine?
6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine has a molecular weight of 691.87 g/mol, XLogP of 14.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-6H-benzo[c]chromen-4-amine is sourced from PubChem (CID 166812328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).