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

C56H36N2S — CID 166997307

IUPACN-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(N(c5ccc6c(c5)sc5ccc7ccccc7c56)c5ccc(-c6ccccc6)c6ccccc56)cc43)c2)cc1
InChIInChI=1S/C56H36N2S/c1-3-14-37(15-4-1)40-19-13-20-41(34-40)58-51-25-12-11-24-48(51)49-29-27-42(35-53(49)58)57(52-32-31-44(38-16-5-2-6-17-38)46-22-9-10-23-47(46)52)43-28-30-50-55(36-43)59-54-33-26-39-18-7-8-21-45(39)56(50)54/h1-36H
InChIKeyVOOQFCNEJRZJGR-UHFFFAOYSA-N
MW768.99 g/mol
LogP16.26
Rot. Bonds6

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

N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine (PubChem CID 166997307) has the molecular formula C56H36N2S and a molecular weight of 768.99 g/mol. Its IUPAC name is N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine
PubChem CID166997307
Molecular FormulaC56H36N2S
Molecular Weight768.99 g/mol
Exact Mass768.26
IUPAC NameN-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(N(c5ccc6c(c5)sc5ccc7ccccc7c56)c5ccc(-c6ccccc6)c6ccccc56)cc43)c2)cc1
InChIInChI=1S/C56H36N2S/c1-3-14-37(15-4-1)40-19-13-20-41(34-40)58-51-25-12-11-24-48(51)49-29-27-42(35-53(49)58)57(52-32-31-44(38-16-5-2-6-17-38)46-22-9-10-23-47(46)52)43-28-30-50-55(36-43)59-54-33-26-39-18-7-8-21-45(39)56(50)54/h1-36H
InChIKeyVOOQFCNEJRZJGR-UHFFFAOYSA-N
XLogP16.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.99
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 170042593
N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169285540
4-N-(3-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165017692
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170042092
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
4-N-naphtho[2,1-b][1]benzothiol-11-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165032934
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042535
N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163536806
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042433
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N-[4-(3-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234123
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 159549899

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine (CID 166997307) is N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(N(c5ccc6c(c5)sc5ccc7ccccc7c56)c5ccc(-c6ccccc6)c6ccccc56)cc43)c2)cc1.
What is the InChIKey of N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine?
The InChIKey is VOOQFCNEJRZJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S/c1-3-14-37(15-4-1)40-19-13-20-41(34-40)58-51-25-12-11-24-48(51)49-29-27-42(35-53(49)58)57(52-32-31-44(38-16-5-2-6-17-38)46-22-9-10-23-47(46)52)43-28-30-50-55(36-43)59-54-33-26-39-18-7-8-21-45(39)56(50)54/h1-36H.
What are the key properties of N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine?
N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine has a molecular weight of 768.99 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 166997307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).