N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine

C44H31N — CID 164831527

IUPACN-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C44H31N/c1-3-13-35(14-4-1)43-31-37(26-29-41(43)38-23-22-32-12-7-8-16-36(32)30-38)33-24-27-40(28-25-33)45(39-18-5-2-6-19-39)44-21-11-17-34-15-9-10-20-42(34)44/h1-31H
InChIKeyHHFOMZMNLRTLBS-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.46
Rot. Bonds6

About N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine

N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 164831527) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID164831527
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC NameN-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C44H31N/c1-3-13-35(14-4-1)43-31-37(26-29-41(43)38-23-22-32-12-7-8-16-36(32)30-38)33-24-27-40(28-25-33)45(39-18-5-2-6-19-39)44-21-11-17-34-15-9-10-20-42(34)44/h1-31H
InChIKeyHHFOMZMNLRTLBS-UHFFFAOYSA-N
XLogP12.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
N-(4-naphthalen-2-ylphenyl)-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172502025
N-[4-(2,5-diphenylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 160767900
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 164832132
N-[4-[4-(N-(3,4-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 159775461
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-(4-naphthalen-2-ylphenyl)-N-[3-(2,4,6-triphenylphenyl)phenyl]naphthalen-1-amine
CID 166676735
N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167235752
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 172502888

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine (CID 164831527) is N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is HHFOMZMNLRTLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-3-13-35(14-4-1)43-31-37(26-29-41(43)38-23-22-32-12-7-8-16-36(32)30-38)33-24-27-40(28-25-33)45(39-18-5-2-6-19-39)44-21-11-17-34-15-9-10-20-42(34)44/h1-31H.
What are the key properties of N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine?
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 573.74 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 164831527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).