2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole

C54H34N2S — CID 146490875

IUPAC2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)c5c4sc4ccccc45)cc32)cc1
InChIInChI=1S/C54H34N2S/c1-3-15-35(16-4-1)39-19-7-11-23-46(39)56-47-24-12-8-20-41(47)43-29-27-38(34-51(43)56)37-28-31-49-45(33-37)42-21-9-13-25-48(42)55(49)50-32-30-40(36-17-5-2-6-18-36)53-44-22-10-14-26-52(44)57-54(50)53/h1-34H
InChIKeyJXUQQCWZCZTAEQ-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.25
Rot. Bonds5

About 2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole

2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole (PubChem CID 146490875) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
PubChem CID146490875
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)c5c4sc4ccccc45)cc32)cc1
InChIInChI=1S/C54H34N2S/c1-3-15-35(16-4-1)39-19-7-11-23-46(39)56-47-24-12-8-20-41(47)43-29-27-38(34-51(43)56)37-28-31-49-45(33-37)42-21-9-13-25-48(42)55(49)50-32-30-40(36-17-5-2-6-18-36)53-44-22-10-14-26-52(44)57-54(50)53/h1-34H
InChIKeyJXUQQCWZCZTAEQ-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-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 162488955
3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
CID 176854301
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
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
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 146490719
9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 139319601
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158873491

Frequently Asked Questions

What is the IUPAC name of 2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole (CID 146490875) is 2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole is c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)c5c4sc4ccccc45)cc32)cc1.
What is the InChIKey of 2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The InChIKey is JXUQQCWZCZTAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-15-35(16-4-1)39-19-7-11-23-46(39)56-47-24-12-8-20-41(47)43-29-27-38(34-51(43)56)37-28-31-49-45(33-37)42-21-9-13-25-48(42)55(49)50-32-30-40(36-17-5-2-6-18-36)53-44-22-10-14-26-52(44)57-54(50)53/h1-34H.
What are the key properties of 2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)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-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 146490875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).