7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine

C48H32N2S — CID 90372072

IUPAC7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-12-33(13-4-1)35-22-26-37(27-23-35)49(38-28-24-36(25-29-38)34-14-5-2-6-15-34)45-20-11-21-46-48(45)42-31-30-39(32-47(42)51-46)50-43-18-9-7-16-40(43)41-17-8-10-19-44(41)50/h1-32H
InChIKeyAPGHCJAVBCFNKP-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine

7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 90372072) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound Name7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID90372072
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC Name7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-12-33(13-4-1)35-22-26-37(27-23-35)49(38-28-24-36(25-29-38)34-14-5-2-6-15-34)45-20-11-21-46-48(45)42-31-30-39(32-47(42)51-46)50-43-18-9-7-16-40(43)41-17-8-10-19-44(41)50/h1-32H
InChIKeyAPGHCJAVBCFNKP-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 90371923
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 89491964
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372077
2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118505838
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502324
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 168809308
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502523
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167277297

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine (CID 90372072) is 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)cc2)cc1.
What is the InChIKey of 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is APGHCJAVBCFNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-3-12-33(13-4-1)35-22-26-37(27-23-35)49(38-28-24-36(25-29-38)34-14-5-2-6-15-34)45-20-11-21-46-48(45)42-31-30-39(32-47(42)51-46)50-43-18-9-7-16-40(43)41-17-8-10-19-44(41)50/h1-32H.
What are the key properties of 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine?
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 668.87 g/mol, XLogP of 13.96, 6 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,N-bis(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 90372072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).