2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine

C50H34N2S — CID 146360664

IUPAC2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine
SMILESc1ccc(-c2c(Nc3ccc4cc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)ccc4c3)ccc3c2sc2ccccc23)cc1
InChIInChI=1S/C50H34N2S/c1-3-12-36(13-4-1)49-47(30-29-46-45-17-9-10-18-48(45)53-50(46)49)51-41-25-21-40-33-44(28-24-39(40)32-41)52(42-15-5-2-6-16-42)43-26-22-35(23-27-43)38-20-19-34-11-7-8-14-37(34)31-38/h1-33,51H
InChIKeyFOTTUGBDBYVTJZ-UHFFFAOYSA-N
MW694.90 g/mol
LogP14.91
Rot. Bonds7

About 2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine

2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine (PubChem CID 146360664) has the molecular formula C50H34N2S and a molecular weight of 694.90 g/mol. Its IUPAC name is 2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine
PubChem CID146360664
Molecular FormulaC50H34N2S
Molecular Weight694.90 g/mol
Exact Mass694.24
IUPAC Name2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine
SMILESc1ccc(-c2c(Nc3ccc4cc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)ccc4c3)ccc3c2sc2ccccc23)cc1
InChIInChI=1S/C50H34N2S/c1-3-12-36(13-4-1)49-47(30-29-46-45-17-9-10-18-48(45)53-50(46)49)51-41-25-21-40-33-44(28-24-39(40)32-41)52(42-15-5-2-6-16-42)43-26-22-35(23-27-43)38-20-19-34-11-7-8-14-37(34)31-38/h1-33,51H
InChIKeyFOTTUGBDBYVTJZ-UHFFFAOYSA-N
XLogP14.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.90
LogP ≤ 514.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 118640861
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline
CID 169063836
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256597
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 169065390
N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174256225
3-N-(4-dibenzothiophen-2-ylphenyl)-3-N-naphthalen-2-yl-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604927
4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine
CID 169063238
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113837
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 154960998

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine?
The IUPAC name of 2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine (CID 146360664) is 2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine.
What is the SMILES notation for 2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine?
The canonical SMILES for 2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine is c1ccc(-c2c(Nc3ccc4cc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)ccc4c3)ccc3c2sc2ccccc23)cc1.
What is the InChIKey of 2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine?
The InChIKey is FOTTUGBDBYVTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2S/c1-3-12-36(13-4-1)49-47(30-29-46-45-17-9-10-18-48(45)53-50(46)49)51-41-25-21-40-33-44(28-24-39(40)32-41)52(42-15-5-2-6-16-42)43-26-22-35(23-27-43)38-20-19-34-11-7-8-14-37(34)31-38/h1-33,51H.
What are the key properties of 2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine?
2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine has a molecular weight of 694.90 g/mol, XLogP of 14.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine is sourced from PubChem (CID 146360664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).