N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine

C44H36N2 — CID 71206206

IUPACN-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine
SMILESC1=C(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)CCC(N(c2ccccc2)c2cccc3ccccc23)C1
InChIInChI=1S/C44H36N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-27,29-30,40H,28,31-32H2
InChIKeyNJZSHGWLTRPJCT-UHFFFAOYSA-N
MW592.79 g/mol
LogP12.24
Rot. Bonds7

About N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine

N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine (PubChem CID 71206206) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine
PubChem CID71206206
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC NameN-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine
SMILESC1=C(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)CCC(N(c2ccccc2)c2cccc3ccccc23)C1
InChIInChI=1S/C44H36N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-27,29-30,40H,28,31-32H2
InChIKeyNJZSHGWLTRPJCT-UHFFFAOYSA-N
XLogP12.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 512.24
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
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
carbanide;copper;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58224687

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine (CID 71206206) is N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine is C1=C(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)CCC(N(c2ccccc2)c2cccc3ccccc23)C1.
What is the InChIKey of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine?
The InChIKey is NJZSHGWLTRPJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-27,29-30,40H,28,31-32H2.
What are the key properties of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine?
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine has a molecular weight of 592.79 g/mol, XLogP of 12.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 71206206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).