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

C48H32N2S — CID 90372249

IUPAC8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccc(-n6c7ccccc7c7ccccc76)cc45)cc3)c2)cc1
InChIInChI=1S/C48H32N2S/c1-3-12-33(13-4-1)35-14-11-15-36(30-35)34-22-24-38(25-23-34)49(37-16-5-2-6-17-37)40-26-28-43-44-31-39(27-29-47(44)51-48(43)32-40)50-45-20-9-7-18-41(45)42-19-8-10-21-46(42)50/h1-32H
InChIKeyWKBRNMYEKRDLOY-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

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

8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 90372249) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is 8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound Name8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID90372249
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC Name8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccc(-n6c7ccccc7c7ccccc76)cc45)cc3)c2)cc1
InChIInChI=1S/C48H32N2S/c1-3-12-33(13-4-1)35-14-11-15-36(30-35)34-22-24-38(25-23-34)49(37-16-5-2-6-17-37)40-26-28-43-44-31-39(27-29-47(44)51-48(43)32-40)50-45-20-9-7-18-41(45)42-19-8-10-21-46(42)50/h1-32H
InChIKeyWKBRNMYEKRDLOY-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,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372077
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-[8-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-(8-phenyldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole
CID 159552400
N-[4-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 118505674
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981
N-(4-phenylphenyl)-N-[4-(9-triphenylen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 89492006
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
3-N-(8-dibenzothiophen-3-yldibenzothiophen-3-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157137830
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of 8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine (CID 90372249) is 8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for 8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for 8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccc(-n6c7ccccc7c7ccccc76)cc45)cc3)c2)cc1.
What is the InChIKey of 8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is WKBRNMYEKRDLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-3-12-33(13-4-1)35-14-11-15-36(30-35)34-22-24-38(25-23-34)49(37-16-5-2-6-17-37)40-26-28-43-44-31-39(27-29-47(44)51-48(43)32-40)50-45-20-9-7-18-41(45)42-19-8-10-21-46(42)50/h1-32H.
What are the key properties of 8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-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 8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 90372249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).