N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine

C48H32N2S — CID 167230417

IUPACN-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C48H32N2S/c1-4-15-33(16-5-1)34-17-14-22-39(29-34)49(37-18-6-2-7-19-37)45-31-36(32-47-48(45)42-24-11-13-26-46(42)51-47)35-27-28-41-40-23-10-12-25-43(40)50(44(41)30-35)38-20-8-3-9-21-38/h1-32H
InChIKeyIHQOTQQCKGOLEX-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine

N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 167230417) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine
PubChem CID167230417
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC NameN-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C48H32N2S/c1-4-15-33(16-5-1)34-17-14-22-39(29-34)49(37-18-6-2-7-19-37)45-31-36(32-47-48(45)42-24-11-13-26-46(42)51-47)35-27-28-41-40-23-10-12-25-43(40)50(44(41)30-35)38-20-8-3-9-21-38/h1-32H
InChIKeyIHQOTQQCKGOLEX-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-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-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119
3-N-(8-dibenzothiophen-3-yldibenzothiophen-3-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157137830
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
N-[4-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 118505674
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 118349368
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]anilino)phenyl]benzene-1,3-diamine
CID 164933153

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine (CID 167230417) is N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2cccc(N(c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc4sc5ccccc5c34)c2)cc1.
What is the InChIKey of N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is IHQOTQQCKGOLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-4-15-33(16-5-1)34-17-14-22-39(29-34)49(37-18-6-2-7-19-37)45-31-36(32-47-48(45)42-24-11-13-26-46(42)51-47)35-27-28-41-40-23-10-12-25-43(40)50(44(41)30-35)38-20-8-3-9-21-38/h1-32H.
What are the key properties of N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine?
N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 668.87 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 167230417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).