2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole

C54H34N2S — CID 162488955

IUPAC2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H34N2S/c1-3-14-35(15-4-1)36-16-13-17-39(32-36)41-29-31-50(54-53(41)45-22-9-12-25-52(45)57-54)56-48-24-11-7-20-42(48)44-28-26-38(34-51(44)56)37-27-30-49-46(33-37)43-21-8-10-23-47(43)55(49)40-18-5-2-6-19-40/h1-34H
InChIKeyNQRAHYFVKMBZBZ-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.25
Rot. Bonds5

About 2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole

2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole (PubChem CID 162488955) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
PubChem CID162488955
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H34N2S/c1-3-14-35(15-4-1)36-16-13-17-39(32-36)41-29-31-50(54-53(41)45-22-9-12-25-52(45)57-54)56-48-24-11-7-20-42(48)44-28-26-38(34-51(44)56)37-27-30-49-46(33-37)43-21-8-10-23-47(43)55(49)40-18-5-2-6-19-40/h1-34H
InChIKeyNQRAHYFVKMBZBZ-UHFFFAOYSA-N
XLogP15.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-phenylcarbazol-2-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 146490880
2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146490875
3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
CID 176854301
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 146490719
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole (CID 162488955) is 2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c4sc5ccccc5c34)c2)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The InChIKey is NQRAHYFVKMBZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-14-35(15-4-1)36-16-13-17-39(32-36)41-29-31-50(54-53(41)45-22-9-12-25-52(45)57-54)56-48-24-11-7-20-42(48)44-28-26-38(34-51(44)56)37-27-30-49-46(33-37)43-21-8-10-23-47(43)55(49)40-18-5-2-6-19-40/h1-34H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole?
2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole has a molecular weight of 742.95 g/mol, XLogP of 15.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 162488955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).