N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine

C60H40N2S — CID 177286397

IUPACN-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5c(-c6ccccc6)cc(-c6ccccc6)cc5c5cccc(N(c6ccccc6)c6cccc7c6sc6ccccc67)c54)cc3)c2)cc1
InChIInChI=1S/C60H40N2S/c1-5-18-41(19-6-1)45-24-15-25-46(38-45)43-34-36-49(37-35-43)62-58-53(44-22-9-3-10-23-44)39-47(42-20-7-2-8-21-42)40-54(58)51-29-16-31-55(59(51)62)61(48-26-11-4-12-27-48)56-32-17-30-52-50-28-13-14-33-57(50)63-60(52)56/h1-40H
InChIKeyUSOLKXZMQCTCNX-UHFFFAOYSA-N
MW821.06 g/mol
LogP17.29
Rot. Bonds8

About N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine

N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine (PubChem CID 177286397) has the molecular formula C60H40N2S and a molecular weight of 821.06 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine
PubChem CID177286397
Molecular FormulaC60H40N2S
Molecular Weight821.06 g/mol
Exact Mass820.29
IUPAC NameN-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5c(-c6ccccc6)cc(-c6ccccc6)cc5c5cccc(N(c6ccccc6)c6cccc7c6sc6ccccc67)c54)cc3)c2)cc1
InChIInChI=1S/C60H40N2S/c1-5-18-41(19-6-1)45-24-15-25-46(38-45)43-34-36-49(37-35-43)62-58-53(44-22-9-3-10-23-44)39-47(42-20-7-2-8-21-42)40-54(58)51-29-16-31-55(59(51)62)61(48-26-11-4-12-27-48)56-32-17-30-52-50-28-13-14-33-57(50)63-60(52)56/h1-40H
InChIKeyUSOLKXZMQCTCNX-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,6,8,9-tetraphenylcarbazol-1-amine
CID 177286407
N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine
CID 177286550
9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine
CID 177286488
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605730
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine
CID 177286552

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine (CID 177286397) is N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine is c1ccc(-c2cccc(-c3ccc(-n4c5c(-c6ccccc6)cc(-c6ccccc6)cc5c5cccc(N(c6ccccc6)c6cccc7c6sc6ccccc67)c54)cc3)c2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine?
The InChIKey is USOLKXZMQCTCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S/c1-5-18-41(19-6-1)45-24-15-25-46(38-45)43-34-36-49(37-35-43)62-58-53(44-22-9-3-10-23-44)39-47(42-20-7-2-8-21-42)40-54(58)51-29-16-31-55(59(51)62)61(48-26-11-4-12-27-48)56-32-17-30-52-50-28-13-14-33-57(50)63-60(52)56/h1-40H.
What are the key properties of N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine?
N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-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-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine is sourced from PubChem (CID 177286397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).