N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine

C48H32N2S — CID 155051715

IUPACN-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cc3c(cc2-c2ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H32N2S/c1-4-15-33(16-5-1)42-32-46-43(38-21-10-12-24-44(38)50(46)36-19-8-3-9-20-36)31-41(42)34-27-29-37(30-28-34)49(35-17-6-2-7-18-35)45-25-14-23-40-39-22-11-13-26-47(39)51-48(40)45/h1-32H
InChIKeyGFWZKMYLVKSRNY-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine

N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine (PubChem CID 155051715) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
PubChem CID155051715
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC NameN-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cc3c(cc2-c2ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H32N2S/c1-4-15-33(16-5-1)42-32-46-43(38-21-10-12-24-44(38)50(46)36-19-8-3-9-20-36)31-41(42)34-27-29-37(30-28-34)49(35-17-6-2-7-18-35)45-25-14-23-40-39-22-11-13-26-47(39)51-48(40)45/h1-32H
InChIKeyGFWZKMYLVKSRNY-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-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-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-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 167087055
3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164968900
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298558
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092
N-dibenzothiophen-3-yl-6-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-4-amine
CID 168814330
2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 156520642

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine (CID 155051715) is N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine is c1ccc(-c2cc3c(cc2-c2ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The InChIKey is GFWZKMYLVKSRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-4-15-33(16-5-1)42-32-46-43(38-21-10-12-24-44(38)50(46)36-19-8-3-9-20-36)31-41(42)34-27-29-37(30-28-34)49(35-17-6-2-7-18-35)45-25-14-23-40-39-22-11-13-26-47(39)51-48(40)45/h1-32H.
What are the key properties of N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-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-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 155051715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).