4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C44H32N2 — CID 176588231

IUPAC4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H32N2/c1-4-18-35(19-5-1)45(36-20-6-2-7-21-36)38-28-30-39(31-29-38)46(37-22-8-3-9-23-37)44-41-25-13-11-16-34(41)27-32-43(44)42-26-14-17-33-15-10-12-24-40(33)42/h1-32H
InChIKeyCXUDJRVOPRJCSF-UHFFFAOYSA-N
MW588.75 g/mol
LogP12.60
Rot. Bonds7

About 4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 176588231) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID176588231
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H32N2/c1-4-18-35(19-5-1)45(36-20-6-2-7-21-36)38-28-30-39(31-29-38)46(37-22-8-3-9-23-37)44-41-25-13-11-16-34(41)27-32-43(44)42-26-14-17-33-15-10-12-24-40(33)42/h1-32H
InChIKeyCXUDJRVOPRJCSF-UHFFFAOYSA-N
XLogP12.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588419
N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 121387026
N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine
CID 176588293
4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
CID 122470453
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 166589751
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
2-N'-phenyl-2-N'-(2-phenylnaphthalen-1-yl)-2-N,2-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633841
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
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 4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 176588231) is 4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is CXUDJRVOPRJCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-4-18-35(19-5-1)45(36-20-6-2-7-21-36)38-28-30-39(31-29-38)46(37-22-8-3-9-23-37)44-41-25-13-11-16-34(41)27-32-43(44)42-26-14-17-33-15-10-12-24-40(33)42/h1-32H.
What are the key properties of 4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 588.75 g/mol, XLogP of 12.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 176588231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).