N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine

C60H39N3S — CID 177286582

IUPACN-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H39N3S/c1-5-18-40(19-6-1)42-36-51(41-20-7-2-8-21-41)59-53(37-42)52-38-45(33-35-55(52)62(59)43-22-9-3-10-23-43)61(46-32-34-49-48-27-14-16-31-57(48)64-58(49)39-46)56-30-17-28-50-47-26-13-15-29-54(47)63(60(50)56)44-24-11-4-12-25-44/h1-39H
InChIKeyJAEJLOSTQOCTAE-UHFFFAOYSA-N
MW834.06 g/mol
LogP17.05
Rot. Bonds7

About N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine

N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine (PubChem CID 177286582) has the molecular formula C60H39N3S and a molecular weight of 834.06 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
PubChem CID177286582
Molecular FormulaC60H39N3S
Molecular Weight834.06 g/mol
Exact Mass833.29
IUPAC NameN-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H39N3S/c1-5-18-40(19-6-1)42-36-51(41-20-7-2-8-21-41)59-53(37-42)52-38-45(33-35-55(52)62(59)43-22-9-3-10-23-43)61(46-32-34-49-48-27-14-16-31-57(48)64-58(49)39-46)56-30-17-28-50-47-26-13-15-29-54(47)63(60(50)56)44-24-11-4-12-25-44/h1-39H
InChIKeyJAEJLOSTQOCTAE-UHFFFAOYSA-N
XLogP17.05
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.06
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-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-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine
CID 177286557
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 177286494
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine
CID 177286552
9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine
CID 177286488
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 165000250
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 164980163
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 164967168
N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 169009865
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 164995259
N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine
CID 177286581
N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170041577

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine?
The IUPAC name of N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine (CID 177286582) is N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine is c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c6ccccc6n(-c6ccccc6)c45)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine?
The InChIKey is JAEJLOSTQOCTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3S/c1-5-18-40(19-6-1)42-36-51(41-20-7-2-8-21-41)59-53(37-42)52-38-45(33-35-55(52)62(59)43-22-9-3-10-23-43)61(46-32-34-49-48-27-14-16-31-57(48)64-58(49)39-46)56-30-17-28-50-47-26-13-15-29-54(47)63(60(50)56)44-24-11-4-12-25-44/h1-39H.
What are the key properties of N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine?
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine has a molecular weight of 834.06 g/mol, XLogP of 17.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine is sourced from PubChem (CID 177286582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).