1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine

C56H41N3 — CID 175869356

IUPAC1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(Nc3cccc4ccccc34)c2Nc2c(-c3ccccc3)ccc(-c3ccccc3)c2Nc2cccc3ccccc23)cc1
InChIInChI=1S/C56H41N3/c1-5-19-41(20-6-1)47-35-37-49(43-23-9-3-10-24-43)55(53(47)57-51-33-17-29-39-27-13-15-31-45(39)51)59-56-50(44-25-11-4-12-26-44)38-36-48(42-21-7-2-8-22-42)54(56)58-52-34-18-30-40-28-14-16-32-46(40)52/h1-38,57-59H
InChIKeyWXCGUTIZKIOACX-UHFFFAOYSA-N
MW755.97 g/mol
LogP15.89
Rot. Bonds10

About 1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine

1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine (PubChem CID 175869356) has the molecular formula C56H41N3 and a molecular weight of 755.97 g/mol. Its IUPAC name is 1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine
PubChem CID175869356
Molecular FormulaC56H41N3
Molecular Weight755.97 g/mol
Exact Mass755.33
IUPAC Name1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(Nc3cccc4ccccc34)c2Nc2c(-c3ccccc3)ccc(-c3ccccc3)c2Nc2cccc3ccccc23)cc1
InChIInChI=1S/C56H41N3/c1-5-19-41(20-6-1)47-35-37-49(43-23-9-3-10-24-43)55(53(47)57-51-33-17-29-39-27-13-15-31-45(39)51)59-56-50(44-25-11-4-12-26-44)38-36-48(42-21-7-2-8-22-42)54(56)58-52-34-18-30-40-28-14-16-32-46(40)52/h1-38,57-59H
InChIKeyWXCGUTIZKIOACX-UHFFFAOYSA-N
XLogP15.89
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.97
LogP ≤ 515.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-diphenylphenyl)naphthalen-1-amine
CID 174398533
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
2,6-diphenyl-N-(2-phenylphenyl)aniline
CID 175811006
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine
CID 90757689
N-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]naphthalen-1-amine
CID 175536282
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine
CID 145272952

Frequently Asked Questions

What is the IUPAC name of 1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine?
The IUPAC name of 1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine (CID 175869356) is 1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine?
The canonical SMILES for 1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine is c1ccc(-c2ccc(-c3ccccc3)c(Nc3cccc4ccccc34)c2Nc2c(-c3ccccc3)ccc(-c3ccccc3)c2Nc2cccc3ccccc23)cc1.
What is the InChIKey of 1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine?
The InChIKey is WXCGUTIZKIOACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N3/c1-5-19-41(20-6-1)47-35-37-49(43-23-9-3-10-24-43)55(53(47)57-51-33-17-29-39-27-13-15-31-45(39)51)59-56-50(44-25-11-4-12-26-44)38-36-48(42-21-7-2-8-22-42)54(56)58-52-34-18-30-40-28-14-16-32-46(40)52/h1-38,57-59H.
What are the key properties of 1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine?
1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine has a molecular weight of 755.97 g/mol, XLogP of 15.89, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine is sourced from PubChem (CID 175869356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).