N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

C55H44N2 — CID 166682523

IUPACN-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC=CC1=C(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc3)cc2)CCC=C1C
InChIInChI=1S/C55H44N2/c1-3-52-40(2)14-12-22-54(52)56(48-17-6-4-7-18-48)50-36-32-45(33-37-50)43-28-24-41(25-29-43)42-26-30-44(31-27-42)46-34-38-51(39-35-46)57(49-19-8-5-9-20-49)55-23-13-16-47-15-10-11-21-53(47)55/h3-11,13-21,23-39H,1,12,22H2,2H3
InChIKeyZNVDTEJBYMDDNE-UHFFFAOYSA-N
MW732.97 g/mol
LogP15.63
Rot. Bonds10

About N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 166682523) has the molecular formula C55H44N2 and a molecular weight of 732.97 g/mol. Its IUPAC name is N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID166682523
Molecular FormulaC55H44N2
Molecular Weight732.97 g/mol
Exact Mass732.35
IUPAC NameN-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC=CC1=C(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc3)cc2)CCC=C1C
InChIInChI=1S/C55H44N2/c1-3-52-40(2)14-12-22-54(52)56(48-17-6-4-7-18-48)50-36-32-45(33-37-50)43-28-24-41(25-29-43)42-26-30-44(31-27-42)46-34-38-51(39-35-46)57(49-19-8-5-9-20-49)55-23-13-16-47-15-10-11-21-53(47)55/h3-11,13-21,23-39H,1,12,22H2,2H3
InChIKeyZNVDTEJBYMDDNE-UHFFFAOYSA-N
XLogP15.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 515.63
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-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
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-[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
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 166682523) is N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is C=CC1=C(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc3)cc2)CCC=C1C.
What is the InChIKey of N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is ZNVDTEJBYMDDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2/c1-3-52-40(2)14-12-22-54(52)56(48-17-6-4-7-18-48)50-36-32-45(33-37-50)43-28-24-41(25-29-43)42-26-30-44(31-27-42)46-34-38-51(39-35-46)57(49-19-8-5-9-20-49)55-23-13-16-47-15-10-11-21-53(47)55/h3-11,13-21,23-39H,1,12,22H2,2H3.
What are the key properties of N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 732.97 g/mol, XLogP of 15.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 166682523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).