9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine

C54H34N2S2 — CID 177286488

IUPAC9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2S2/c1-4-15-35(16-5-1)37-31-44(36-17-6-2-7-18-36)53-47(32-37)45-33-39(27-29-48(45)56(53)40-28-30-52-46(34-40)42-22-11-12-25-50(42)57-52)55(38-19-8-3-9-20-38)49-24-14-23-43-41-21-10-13-26-51(41)58-54(43)49/h1-34H
InChIKeySGDNIIRAUSAFEL-UHFFFAOYSA-N
MW775.01 g/mol
LogP16.32
Rot. Bonds6

About 9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine

9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine (PubChem CID 177286488) has the molecular formula C54H34N2S2 and a molecular weight of 775.01 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine
PubChem CID177286488
Molecular FormulaC54H34N2S2
Molecular Weight775.01 g/mol
Exact Mass774.22
IUPAC Name9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2S2/c1-4-15-35(16-5-1)37-31-44(36-17-6-2-7-18-36)53-47(32-37)45-33-39(27-29-48(45)56(53)40-28-30-52-46(34-40)42-22-11-12-25-50(42)57-52)55(38-19-8-3-9-20-38)49-24-14-23-43-41-21-10-13-26-51(41)58-54(43)49/h1-34H
InChIKeySGDNIIRAUSAFEL-UHFFFAOYSA-N
XLogP16.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole
CID 123584276
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
CID 177286582
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine
CID 177286557
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-4-yl-N,6,8,9-tetraphenylcarbazol-1-amine
CID 177286407
N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine
CID 177286397
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine
CID 160550206
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164962758
N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine
CID 167110194
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine?
The IUPAC name of 9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine (CID 177286488) is 9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine.
What is the SMILES notation for 9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine?
The canonical SMILES for 9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine is c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine?
The InChIKey is SGDNIIRAUSAFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S2/c1-4-15-35(16-5-1)37-31-44(36-17-6-2-7-18-36)53-47(32-37)45-33-39(27-29-48(45)56(53)40-28-30-52-46(34-40)42-22-11-12-25-50(42)57-52)55(38-19-8-3-9-20-38)49-24-14-23-43-41-21-10-13-26-51(41)58-54(43)49/h1-34H.
What are the key properties of 9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine?
9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine has a molecular weight of 775.01 g/mol, XLogP of 16.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine is sourced from PubChem (CID 177286488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).