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

C54H34N2S — CID 174245078

IUPAC3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5cccc(-c7ccccc7)c56)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2S/c1-3-13-35(14-4-1)36-25-29-40(30-26-36)55-47-21-9-7-17-42(47)45-33-38(27-31-49(45)55)39-28-32-50-46(34-39)43-18-8-10-22-48(43)56(50)51-23-11-20-44-53-41(37-15-5-2-6-16-37)19-12-24-52(53)57-54(44)51/h1-34H
InChIKeyGXQJJHJRPBIWIU-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.25
Rot. Bonds5

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

3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 174245078) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID174245078
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5cccc(-c7ccccc7)c56)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2S/c1-3-13-35(14-4-1)36-25-29-40(30-26-36)55-47-21-9-7-17-42(47)45-33-38(27-31-49(45)55)39-28-32-50-46(34-39)43-18-8-10-22-48(43)56(50)51-23-11-20-44-53-41(37-15-5-2-6-16-37)19-12-24-52(53)57-54(44)51/h1-34H
InChIKeyGXQJJHJRPBIWIU-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-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 139319601
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
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
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 174245078) is 3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5cccc(-c7ccccc7)c56)ccc43)cc2)cc1.
What is the InChIKey of 3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is GXQJJHJRPBIWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-13-35(14-4-1)36-25-29-40(30-26-36)55-47-21-9-7-17-42(47)45-33-38(27-31-49(45)55)39-28-32-50-46(34-39)43-18-8-10-22-48(43)56(50)51-23-11-20-44-53-41(37-15-5-2-6-16-37)19-12-24-52(53)57-54(44)51/h1-34H.
What are the key properties of 3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-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 3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 174245078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).