N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine

C60H40N2S — CID 177286581

IUPACN-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3c3cc(-c5ccccc5)cc(-c5ccccc5)c3n4-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H40N2S/c1-6-19-41(20-7-1)45-33-35-54(50(37-45)43-23-10-3-11-24-43)61(48-34-36-58-52(40-48)49-29-16-17-32-57(49)63-58)55-30-18-31-56-59(55)53-39-46(42-21-8-2-9-22-42)38-51(44-25-12-4-13-26-44)60(53)62(56)47-27-14-5-15-28-47/h1-40H
InChIKeySKCCVAPKVDJJSP-UHFFFAOYSA-N
MW821.06 g/mol
LogP17.29
Rot. Bonds8

About N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine

N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine (PubChem CID 177286581) has the molecular formula C60H40N2S and a molecular weight of 821.06 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine
PubChem CID177286581
Molecular FormulaC60H40N2S
Molecular Weight821.06 g/mol
Exact Mass820.29
IUPAC NameN-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3c3cc(-c5ccccc5)cc(-c5ccccc5)c3n4-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H40N2S/c1-6-19-41(20-7-1)45-33-35-54(50(37-45)43-23-10-3-11-24-43)61(48-34-36-58-52(40-48)49-29-16-17-32-57(49)63-58)55-30-18-31-56-59(55)53-39-46(42-21-8-2-9-22-42)38-51(44-25-12-4-13-26-44)60(53)62(56)47-27-14-5-15-28-47/h1-40H
InChIKeySKCCVAPKVDJJSP-UHFFFAOYSA-N
XLogP17.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.06
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine
CID 177286550
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
CID 177286582
N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286478
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 164790607
N-dibenzothiophen-2-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 155122836
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 177286494
N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 169009865
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-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine
CID 177286552
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 155122803
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine (CID 177286581) is N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine is c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3c3cc(-c5ccccc5)cc(-c5ccccc5)c3n4-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine?
The InChIKey is SKCCVAPKVDJJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S/c1-6-19-41(20-7-1)45-33-35-54(50(37-45)43-23-10-3-11-24-43)61(48-34-36-58-52(40-48)49-29-16-17-32-57(49)63-58)55-30-18-31-56-59(55)53-39-46(42-21-8-2-9-22-42)38-51(44-25-12-4-13-26-44)60(53)62(56)47-27-14-5-15-28-47/h1-40H.
What are the key properties of N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine?
N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine has a molecular weight of 821.06 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine is sourced from PubChem (CID 177286581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).