4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline

C66H45N — CID 122470453

IUPAC4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cc(N(c3ccc(-c4cccc5ccccc45)c(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)c(-c4ccccc4)c3)ccc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C66H45N/c1-4-19-49(20-5-1)64-43-52(37-40-61(64)58-34-16-28-46-25-10-13-31-55(46)58)67(53-38-41-62(65(44-53)50-21-6-2-7-22-50)59-35-17-29-47-26-11-14-32-56(47)59)54-39-42-63(66(45-54)51-23-8-3-9-24-51)60-36-18-30-48-27-12-15-33-57(48)60/h1-45H
InChIKeyNCPPFZYLWNMPOF-UHFFFAOYSA-N
MW852.09 g/mol
LogP18.62
Rot. Bonds9

About 4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline

4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline (PubChem CID 122470453) has the molecular formula C66H45N and a molecular weight of 852.09 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline.

Molecular Properties

Compound Name4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
PubChem CID122470453
Molecular FormulaC66H45N
Molecular Weight852.09 g/mol
Exact Mass851.36
IUPAC Name4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cc(N(c3ccc(-c4cccc5ccccc45)c(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)c(-c4ccccc4)c3)ccc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C66H45N/c1-4-19-49(20-5-1)64-43-52(37-40-61(64)58-34-16-28-46-25-10-13-31-55(46)58)67(53-38-41-62(65(44-53)50-21-6-2-7-22-50)59-35-17-29-47-26-11-14-32-56(47)59)54-39-42-63(66(45-54)51-23-8-3-9-24-51)60-36-18-30-48-27-12-15-33-57(48)60/h1-45H
InChIKeyNCPPFZYLWNMPOF-UHFFFAOYSA-N
XLogP18.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.09
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine
CID 177080942
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 167184269
4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 166589751
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline?
The IUPAC name of 4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline (CID 122470453) is 4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline.
What is the SMILES notation for 4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline?
The canonical SMILES for 4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline is c1ccc(-c2cc(N(c3ccc(-c4cccc5ccccc45)c(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)c(-c4ccccc4)c3)ccc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline?
The InChIKey is NCPPFZYLWNMPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N/c1-4-19-49(20-5-1)64-43-52(37-40-61(64)58-34-16-28-46-25-10-13-31-55(46)58)67(53-38-41-62(65(44-53)50-21-6-2-7-22-50)59-35-17-29-47-26-11-14-32-56(47)59)54-39-42-63(66(45-54)51-23-8-3-9-24-51)60-36-18-30-48-27-12-15-33-57(48)60/h1-45H.
What are the key properties of 4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline?
4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline has a molecular weight of 852.09 g/mol, XLogP of 18.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline is sourced from PubChem (CID 122470453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).