1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine

C62H44N2 — CID 176587601

IUPAC1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccccc2N(c2ccc(N(c3ccccc3)c3ccc(-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)cc3)cc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C62H44N2/c1-4-17-47(18-5-1)59-26-12-14-29-61(59)64(62-30-15-13-27-60(62)48-19-6-2-7-20-48)56-41-39-55(40-42-56)63(53-23-8-3-9-24-53)54-37-35-45(36-38-54)49-31-32-51-44-52(34-33-50(51)43-49)58-28-16-22-46-21-10-11-25-57(46)58/h1-44H
InChIKeyHWENVGIJNFCIRR-UHFFFAOYSA-N
MW817.05 g/mol
LogP17.60
Rot. Bonds10

About 1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine

1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine (PubChem CID 176587601) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine
PubChem CID176587601
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccccc2N(c2ccc(N(c3ccccc3)c3ccc(-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)cc3)cc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C62H44N2/c1-4-17-47(18-5-1)59-26-12-14-29-61(59)64(62-30-15-13-27-60(62)48-19-6-2-7-20-48)56-41-39-55(40-42-56)63(53-23-8-3-9-24-53)54-37-35-45(36-38-54)49-31-32-51-44-52(34-33-50(51)43-49)58-28-16-22-46-21-10-11-25-57(46)58/h1-44H
InChIKeyHWENVGIJNFCIRR-UHFFFAOYSA-N
XLogP17.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 172501318
2-N,4-N-bis(3-naphthalen-2-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-bis(4-naphthalen-1-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-bis(4-naphthalen-2-ylphenyl)-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenylphenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(2-phenylphenyl)phenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)phenanthrene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)phenanthrene-2,4-diamine;2-N,2-N,4-N,4-N-tetraphenylphenanthrene-2,4-diamine
CID 163819030
6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170141997
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167324300
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine (CID 176587601) is 1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine is c1ccc(-c2ccccc2N(c2ccc(N(c3ccccc3)c3ccc(-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)cc3)cc2)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine?
The InChIKey is HWENVGIJNFCIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-4-17-47(18-5-1)59-26-12-14-29-61(59)64(62-30-15-13-27-60(62)48-19-6-2-7-20-48)56-41-39-55(40-42-56)63(53-23-8-3-9-24-53)54-37-35-45(36-38-54)49-31-32-51-44-52(34-33-50(51)43-49)58-28-16-22-46-21-10-11-25-57(46)58/h1-44H.
What are the key properties of 1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine?
1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine has a molecular weight of 817.05 g/mol, XLogP of 17.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 176587601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).