N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine

C45H34N2 — CID 143570887

IUPACN-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine
SMILESC1=CC=CC(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)C=C1
InChIInChI=1S/C45H34N2/c1-2-5-19-38(18-4-1)46(44-24-12-16-36-14-8-10-22-42(36)44)40-30-26-34(27-31-40)35-28-32-41(33-29-35)47(39-20-6-3-7-21-39)45-25-13-17-37-15-9-11-23-43(37)45/h1-33,38H
InChIKeyKHTVNICDWDYSBJ-UHFFFAOYSA-N
MW602.78 g/mol
LogP12.32
Rot. Bonds7

About N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine

N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine (PubChem CID 143570887) has the molecular formula C45H34N2 and a molecular weight of 602.78 g/mol. Its IUPAC name is N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine
PubChem CID143570887
Molecular FormulaC45H34N2
Molecular Weight602.78 g/mol
Exact Mass602.27
IUPAC NameN-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine
SMILESC1=CC=CC(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)C=C1
InChIInChI=1S/C45H34N2/c1-2-5-19-38(18-4-1)46(44-24-12-16-36-14-8-10-22-42(36)44)40-30-26-34(27-31-40)35-28-32-41(33-29-35)47(39-20-6-3-7-21-39)45-25-13-17-37-15-9-11-23-43(37)45/h1-33,38H
InChIKeyKHTVNICDWDYSBJ-UHFFFAOYSA-N
XLogP12.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
carbanide;copper;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58224687
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

Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine (CID 143570887) is N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine is C1=CC=CC(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)C=C1.
What is the InChIKey of N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is KHTVNICDWDYSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2/c1-2-5-19-38(18-4-1)46(44-24-12-16-36-14-8-10-22-42(36)44)40-30-26-34(27-31-40)35-28-32-41(33-29-35)47(39-20-6-3-7-21-39)45-25-13-17-37-15-9-11-23-43(37)45/h1-33,38H.
What are the key properties of N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine?
N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 602.78 g/mol, XLogP of 12.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 143570887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).