N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine

C48H32N2S — CID 169009610

IUPACN-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
SMILESc1ccc(-c2cccc3c2c2ccc(N(c4ccccc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H32N2S/c1-4-14-33(15-5-1)39-21-12-23-43-47(39)41-31-30-38(32-44(41)50(43)36-18-8-3-9-19-36)49(35-16-6-2-7-17-35)37-28-26-34(27-29-37)40-22-13-25-46-48(40)42-20-10-11-24-45(42)51-46/h1-32H
InChIKeyDJWVLTBKGCADRP-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine

N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine (PubChem CID 169009610) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
PubChem CID169009610
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
SMILESc1ccc(-c2cccc3c2c2ccc(N(c4ccccc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H32N2S/c1-4-14-33(15-5-1)39-21-12-23-43-47(39)41-31-30-38(32-44(41)50(43)36-18-8-3-9-19-36)49(35-16-6-2-7-17-35)37-28-26-34(27-29-37)40-22-13-25-46-48(40)42-20-10-11-24-45(42)51-46/h1-32H
InChIKeyDJWVLTBKGCADRP-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

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009618
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009594
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814676
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 168807456
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
N-(4-dibenzothiophen-1-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788998
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
CID 169010334
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 166847774

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine (CID 169009610) is N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine is c1ccc(-c2cccc3c2c2ccc(N(c4ccccc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine?
The InChIKey is DJWVLTBKGCADRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-4-14-33(15-5-1)39-21-12-23-43-47(39)41-31-30-38(32-44(41)50(43)36-18-8-3-9-19-36)49(35-16-6-2-7-17-35)37-28-26-34(27-29-37)40-22-13-25-46-48(40)42-20-10-11-24-45(42)51-46/h1-32H.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine?
N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-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-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine is sourced from PubChem (CID 169009610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).