7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

C60H40N2S — CID 90371923

IUPAC7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)c(-c4ccccc4)c3)c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)cc2)cc1
InChIInChI=1S/C60H40N2S/c1-4-17-41(18-5-1)42-31-33-45(34-32-42)61(46-35-37-50(54(39-46)44-21-8-3-9-22-44)49-24-11-10-23-48(49)43-19-6-2-7-20-43)57-29-16-30-58-60(57)53-38-36-47(40-59(53)63-58)62-55-27-14-12-25-51(55)52-26-13-15-28-56(52)62/h1-40H
InChIKeyQNPLNPXBFAVPPN-UHFFFAOYSA-N
MW821.06 g/mol
LogP17.29
Rot. Bonds8

About 7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 90371923) has the molecular formula C60H40N2S and a molecular weight of 821.06 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound Name7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID90371923
Molecular FormulaC60H40N2S
Molecular Weight821.06 g/mol
Exact Mass820.29
IUPAC Name7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)c(-c4ccccc4)c3)c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)cc2)cc1
InChIInChI=1S/C60H40N2S/c1-4-17-41(18-5-1)42-31-33-45(34-32-42)61(46-35-37-50(54(39-46)44-21-8-3-9-22-44)49-24-11-10-23-48(49)43-19-6-2-7-20-43)57-29-16-30-58-60(57)53-38-36-47(40-59(53)63-58)62-55-27-14-12-25-51(55)52-26-13-15-28-56(52)62/h1-40H
InChIKeyQNPLNPXBFAVPPN-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

7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 90372072
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502523
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502324
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
CID 118086518
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-(4-dibenzothiophen-1-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788998
2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118505838
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-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 118086514
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379902
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372077

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of 7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (CID 90371923) is 7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for 7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for 7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)c(-c4ccccc4)c3)c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)cc2)cc1.
What is the InChIKey of 7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is QNPLNPXBFAVPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S/c1-4-17-41(18-5-1)42-31-33-45(34-32-42)61(46-35-37-50(54(39-46)44-21-8-3-9-22-44)49-24-11-10-23-48(49)43-19-6-2-7-20-43)57-29-16-30-58-60(57)53-38-36-47(40-59(53)63-58)62-55-27-14-12-25-51(55)52-26-13-15-28-56(52)62/h1-40H.
What are the key properties of 7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-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 7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 90371923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).