N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline

C56H36N2S — CID 135164558

IUPACN-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c4ccccc34)cc2)cc1
InChIInChI=1S/C56H36N2S/c1-2-14-42(15-3-1)57(43-28-24-38(25-29-43)41-23-22-37-12-4-5-13-40(37)36-41)44-30-26-39(27-31-44)45-32-34-52(47-17-7-6-16-46(45)47)58-51-20-10-8-19-50(51)55-53(58)35-33-49-48-18-9-11-21-54(48)59-56(49)55/h1-36H
InChIKeyXIZQBTMRDIWDBU-UHFFFAOYSA-N
MW768.99 g/mol
LogP16.26
Rot. Bonds6

About N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline

N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline (PubChem CID 135164558) has the molecular formula C56H36N2S and a molecular weight of 768.99 g/mol. Its IUPAC name is N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline
PubChem CID135164558
Molecular FormulaC56H36N2S
Molecular Weight768.99 g/mol
Exact Mass768.26
IUPAC NameN-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c4ccccc34)cc2)cc1
InChIInChI=1S/C56H36N2S/c1-2-14-42(15-3-1)57(43-28-24-38(25-29-43)41-23-22-37-12-4-5-13-40(37)36-41)44-30-26-39(27-31-44)45-32-34-52(47-17-7-6-16-46(45)47)58-51-20-10-8-19-50(51)55-53(58)35-33-49-48-18-9-11-21-54(48)59-56(49)55/h1-36H
InChIKeyXIZQBTMRDIWDBU-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-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline 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

3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578512
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 160918264
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;4-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;N,N-diphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 158348435
N-dibenzothiophen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 160828586
1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 89448343
N,4-diphenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-2-amine
CID 162150455
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 154960998
3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 163486242
4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 168848021
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
CID 156520484
N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 167339393

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The IUPAC name of N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline (CID 135164558) is N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline.
What is the SMILES notation for N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The canonical SMILES for N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The InChIKey is XIZQBTMRDIWDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S/c1-2-14-42(15-3-1)57(43-28-24-38(25-29-43)41-23-22-37-12-4-5-13-40(37)36-41)44-30-26-39(27-31-44)45-32-34-52(47-17-7-6-16-46(45)47)58-51-20-10-8-19-50(51)55-53(58)35-33-49-48-18-9-11-21-54(48)59-56(49)55/h1-36H.
What are the key properties of N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline?
N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline 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-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline is sourced from PubChem (CID 135164558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).