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

C44H31N — CID 172526971

IUPACN-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C44H31N/c1-3-11-32(12-4-1)34-19-25-39(26-20-34)45(41-29-21-33-13-7-8-17-38(33)31-41)40-27-22-36(23-28-40)43-30-24-35-14-9-10-18-42(35)44(43)37-15-5-2-6-16-37/h1-31H
InChIKeyMNFVHONRYQDAJD-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.46
Rot. Bonds6

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

N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 172526971) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID172526971
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC NameN-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C44H31N/c1-3-11-32(12-4-1)34-19-25-39(26-20-34)45(41-29-21-33-13-7-8-17-38(33)31-41)40-27-22-36(23-28-40)43-30-24-35-14-9-10-18-42(35)44(43)37-15-5-2-6-16-37/h1-31H
InChIKeyMNFVHONRYQDAJD-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-[1-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166916880
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527339
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527468
N-(3-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527571
N-[4-[3-[3-[4-[4-[4-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 167265702
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527923
2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline
CID 172527082
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926
N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177081062
N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline
CID 175615765

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 172526971) is N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is MNFVHONRYQDAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-3-11-32(12-4-1)34-19-25-39(26-20-34)45(41-29-21-33-13-7-8-17-38(33)31-41)40-27-22-36(23-28-40)43-30-24-35-14-9-10-18-42(35)44(43)37-15-5-2-6-16-37/h1-31H.
What are the key properties of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-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-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 172526971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).