N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

C46H33N — CID 138622973

IUPACN-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cc(-c4ccccc4)cc4ccccc34)cc2)cc1
InChIInChI=1S/C46H33N/c1-5-15-34(16-6-1)37-25-28-42(29-26-37)47(46-33-41(36-19-9-3-10-20-36)31-40-23-13-14-24-43(40)46)45-30-27-39(35-17-7-2-8-18-35)32-44(45)38-21-11-4-12-22-38/h1-33H
InChIKeyDQRBIKUUKYXOLX-UHFFFAOYSA-N
MW599.78 g/mol
LogP12.98
Rot. Bonds7

About N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 138622973) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID138622973
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC NameN-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cc(-c4ccccc4)cc4ccccc34)cc2)cc1
InChIInChI=1S/C46H33N/c1-5-15-34(16-6-1)37-25-28-42(29-26-37)47(46-33-41(36-19-9-3-10-20-36)31-40-23-13-14-24-43(40)46)45-30-27-39(35-17-7-2-8-18-35)32-44(45)38-21-11-4-12-22-38/h1-33H
InChIKeyDQRBIKUUKYXOLX-UHFFFAOYSA-N
XLogP12.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 170150009
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185
N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352637
N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine
CID 171054294
N-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 139352860
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 163718769
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
CID 118369404

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (CID 138622973) is N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cc(-c4ccccc4)cc4ccccc34)cc2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is DQRBIKUUKYXOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-5-15-34(16-6-1)37-25-28-42(29-26-37)47(46-33-41(36-19-9-3-10-20-36)31-40-23-13-14-24-43(40)46)45-30-27-39(35-17-7-2-8-18-35)32-44(45)38-21-11-4-12-22-38/h1-33H.
What are the key properties of N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 599.78 g/mol, XLogP of 12.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 138622973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).