N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine

C50H32N2S — CID 166997472

IUPACN-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4sc5cc6ccccc6cc5c34)c3ccccc23)cc1
InChIInChI=1S/C50H32N2S/c1-3-14-33(15-4-1)38-27-29-45(40-21-10-9-20-39(38)40)52(47-24-13-25-48-50(47)43-30-34-16-7-8-17-35(34)31-49(43)53-48)37-26-28-46-42(32-37)41-22-11-12-23-44(41)51(46)36-18-5-2-6-19-36/h1-32H
InChIKeyWXCYCDCGLKCLGV-UHFFFAOYSA-N
MW692.89 g/mol
LogP14.59
Rot. Bonds5

About N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine

N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine (PubChem CID 166997472) has the molecular formula C50H32N2S and a molecular weight of 692.89 g/mol. Its IUPAC name is N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
PubChem CID166997472
Molecular FormulaC50H32N2S
Molecular Weight692.89 g/mol
Exact Mass692.23
IUPAC NameN-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4sc5cc6ccccc6cc5c34)c3ccccc23)cc1
InChIInChI=1S/C50H32N2S/c1-3-14-33(15-4-1)38-27-29-45(40-21-10-9-20-39(38)40)52(47-24-13-25-48-50(47)43-30-34-16-7-8-17-35(34)31-49(43)53-48)37-26-28-46-42(32-37)41-22-11-12-23-44(41)51(46)36-18-5-2-6-19-36/h1-32H
InChIKeyWXCYCDCGLKCLGV-UHFFFAOYSA-N
XLogP14.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.89
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenylcarbazol-3-amine
CID 163883658
N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 170298457
N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-naphtho[2,3-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 166997335
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666257
N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine
CID 166997186
N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167236455
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 70938071
N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 59181391
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
The IUPAC name of N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine (CID 166997472) is N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine.
What is the SMILES notation for N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
The canonical SMILES for N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4sc5cc6ccccc6cc5c34)c3ccccc23)cc1.
What is the InChIKey of N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
The InChIKey is WXCYCDCGLKCLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S/c1-3-14-33(15-4-1)38-27-29-45(40-21-10-9-20-39(38)40)52(47-24-13-25-48-50(47)43-30-34-16-7-8-17-35(34)31-49(43)53-48)37-26-28-46-42(32-37)41-22-11-12-23-44(41)51(46)36-18-5-2-6-19-36/h1-32H.
What are the key properties of N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine has a molecular weight of 692.89 g/mol, XLogP of 14.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine is sourced from PubChem (CID 166997472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).