N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine

C60H40N2S — CID 172502523

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C60H40N2S/c1-2-17-42(18-3-1)47-21-4-5-22-48(47)49-23-6-7-24-50(49)51-25-8-12-29-56(51)61(46-37-38-55-54-28-11-15-32-59(54)63-60(55)40-46)44-35-33-41(34-36-44)43-19-16-20-45(39-43)62-57-30-13-9-26-52(57)53-27-10-14-31-58(53)62/h1-40H
InChIKeyDUENPWZOFUFXQH-UHFFFAOYSA-N
MW821.06 g/mol
LogP17.29
Rot. Bonds8

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine (PubChem CID 172502523) has the molecular formula C60H40N2S and a molecular weight of 821.06 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
PubChem CID172502523
Molecular FormulaC60H40N2S
Molecular Weight821.06 g/mol
Exact Mass820.29
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C60H40N2S/c1-2-17-42(18-3-1)47-21-4-5-22-48(47)49-23-6-7-24-50(49)51-25-8-12-29-56(51)61(46-37-38-55-54-28-11-15-32-59(54)63-60(55)40-46)44-35-33-41(34-36-44)43-19-16-20-45(39-43)62-57-30-13-9-26-52(57)53-27-10-14-31-58(53)62/h1-40H
InChIKeyDUENPWZOFUFXQH-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-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-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-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502324
N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
CID 118086518
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-dibenzothiophen-3-yl-6-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-4-amine
CID 168814330
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118505838
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 90371923
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501114

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine (CID 172502523) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The InChIKey is DUENPWZOFUFXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S/c1-2-17-42(18-3-1)47-21-4-5-22-48(47)49-23-6-7-24-50(49)51-25-8-12-29-56(51)61(46-37-38-55-54-28-11-15-32-59(54)63-60(55)40-46)44-35-33-41(34-36-44)43-19-16-20-45(39-43)62-57-30-13-9-26-52(57)53-27-10-14-31-58(53)62/h1-40H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine 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-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 172502523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).