N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine

C48H34N2O — CID 102013805

IUPACN-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)o3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H34N2O/c1-3-17-39(18-4-1)49(45-23-11-15-35-13-7-9-21-43(35)45)41-29-25-37(26-30-41)47-33-34-48(51-47)38-27-31-42(32-28-38)50(40-19-5-2-6-20-40)46-24-12-16-36-14-8-10-22-44(36)46/h1-34H
InChIKeyDAJRXCJOUKVAMU-UHFFFAOYSA-N
MW654.81 g/mol
LogP13.86
Rot. Bonds8

About N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 102013805) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID102013805
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC NameN-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)o3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H34N2O/c1-3-17-39(18-4-1)49(45-23-11-15-35-13-7-9-21-43(35)45)41-29-25-37(26-30-41)47-33-34-48(51-47)38-27-31-42(32-28-38)50(40-19-5-2-6-20-40)46-24-12-16-36-14-8-10-22-44(36)46/h1-34H
InChIKeyDAJRXCJOUKVAMU-UHFFFAOYSA-N
XLogP13.86
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 102013805) is N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)o3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is DAJRXCJOUKVAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-3-17-39(18-4-1)49(45-23-11-15-35-13-7-9-21-43(35)45)41-29-25-37(26-30-41)47-33-34-48(51-47)38-27-31-42(32-28-38)50(40-19-5-2-6-20-40)46-24-12-16-36-14-8-10-22-44(36)46/h1-34H.
What are the key properties of N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 654.81 g/mol, XLogP of 13.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 102013805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).