N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline

C60H40N2S — CID 118086518

IUPACN-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2S/c1-3-17-41(18-4-1)48-22-9-10-24-50(48)51-25-11-14-28-56(51)61(44-19-5-2-6-20-44)45-34-31-42(32-35-45)47-21-7-8-23-49(47)43-33-38-58-55(39-43)52-26-12-15-29-57(52)62(58)46-36-37-54-53-27-13-16-30-59(53)63-60(54)40-46/h1-40H
InChIKeyHZXLWZYURLFVEU-UHFFFAOYSA-N
MW821.06 g/mol
LogP17.29
Rot. Bonds8

About N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline

N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 118086518) has the molecular formula C60H40N2S and a molecular weight of 821.06 g/mol. Its IUPAC name is N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
PubChem CID118086518
Molecular FormulaC60H40N2S
Molecular Weight821.06 g/mol
Exact Mass820.29
IUPAC NameN-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2S/c1-3-17-41(18-4-1)48-22-9-10-24-50(48)51-25-11-14-28-56(51)61(44-19-5-2-6-20-44)45-34-31-42(32-35-45)47-21-7-8-23-49(47)43-33-38-58-55(39-43)52-26-12-15-29-57(52)62(58)46-36-37-54-53-27-13-16-30-59(53)63-60(54)40-46/h1-40H
InChIKeyHZXLWZYURLFVEU-UHFFFAOYSA-N
XLogP17.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.06
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline 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-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 118086514
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502523
2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118505838
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502324
7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 90371923
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-3-amine
CID 172500763
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501726
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline (CID 118086518) is N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is HZXLWZYURLFVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S/c1-3-17-41(18-4-1)48-22-9-10-24-50(48)51-25-11-14-28-56(51)61(44-19-5-2-6-20-44)45-34-31-42(32-35-45)47-21-7-8-23-49(47)43-33-38-58-55(39-43)52-26-12-15-29-57(52)62(58)46-36-37-54-53-27-13-16-30-59(53)63-60(54)40-46/h1-40H.
What are the key properties of N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline?
N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline has a molecular weight of 821.06 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 118086518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).