N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine

C40H29N — CID 166041816

IUPACN-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cccc(-c3cccc4cccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)c34)c2)cc1
InChIInChI=1S/C40H29N/c1-4-14-30(15-5-1)33-20-10-22-35(28-33)38-26-12-18-32-19-13-27-39(40(32)38)41(36-23-8-3-9-24-36)37-25-11-21-34(29-37)31-16-6-2-7-17-31/h1-29H
InChIKeyDURBTPYGVKPKSM-UHFFFAOYSA-N
MW523.68 g/mol
LogP11.31
Rot. Bonds6

About N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine

N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine (PubChem CID 166041816) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine
PubChem CID166041816
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC NameN-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cccc(-c3cccc4cccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)c34)c2)cc1
InChIInChI=1S/C40H29N/c1-4-14-30(15-5-1)33-20-10-22-35(28-33)38-26-12-18-32-19-13-27-39(40(32)38)41(36-23-8-3-9-24-36)37-25-11-21-34(29-37)31-16-6-2-7-17-31/h1-29H
InChIKeyDURBTPYGVKPKSM-UHFFFAOYSA-N
XLogP11.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 169016062
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
2-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167271683
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine
CID 167272465
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine
CID 166041824
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine (CID 166041816) is N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine is c1ccc(-c2cccc(-c3cccc4cccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)c34)c2)cc1.
What is the InChIKey of N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine?
The InChIKey is DURBTPYGVKPKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-4-14-30(15-5-1)33-20-10-22-35(28-33)38-26-12-18-32-19-13-27-39(40(32)38)41(36-23-8-3-9-24-36)37-25-11-21-34(29-37)31-16-6-2-7-17-31/h1-29H.
What are the key properties of N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine?
N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine has a molecular weight of 523.68 g/mol, XLogP of 11.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 166041816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).