N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C46H34N2 — CID 166916774

IUPACN-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C46H34N2/c1-5-13-35(14-6-1)36-23-28-45(29-24-36)48(43-19-11-4-12-20-43)46-32-27-38-21-22-39(33-40(38)34-46)37-25-30-44(31-26-37)47(41-15-7-2-8-16-41)42-17-9-3-10-18-42/h1-34H
InChIKeyICNFIVDJHSVFTB-UHFFFAOYSA-N
MW614.79 g/mol
LogP13.11
Rot. Bonds8

About N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 166916774) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID166916774
Molecular FormulaC46H34N2
Molecular Weight614.79 g/mol
Exact Mass614.27
IUPAC NameN-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C46H34N2/c1-5-13-35(14-6-1)36-23-28-45(29-24-36)48(43-19-11-4-12-20-43)46-32-27-38-21-22-39(33-40(38)34-46)37-25-30-44(31-26-37)47(41-15-7-2-8-16-41)42-17-9-3-10-18-42/h1-34H
InChIKeyICNFIVDJHSVFTB-UHFFFAOYSA-N
XLogP13.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
CID 58690845
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139352483
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031712
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881

Frequently Asked Questions

What is the IUPAC name of N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 166916774) is N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c3)cc2)cc1.
What is the InChIKey of N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is ICNFIVDJHSVFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2/c1-5-13-35(14-6-1)36-23-28-45(29-24-36)48(43-19-11-4-12-20-43)46-32-27-38-21-22-39(33-40(38)34-46)37-25-30-44(31-26-37)47(41-15-7-2-8-16-41)42-17-9-3-10-18-42/h1-34H.
What are the key properties of N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 614.79 g/mol, XLogP of 13.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 166916774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).