9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole

C118H74N10S2 — CID 161368437

IUPAC9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4nc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)nc3ccccc32)cc1
InChIInChI=1S/2C59H37N5S/c1-2-12-42(13-3-1)59-62-50-17-7-10-20-55(50)64(59)45-33-28-41(29-34-45)58-60-51(39-24-22-38(23-25-39)43-30-35-57-49(36-43)48-16-6-11-21-56(48)65-57)37-52(61-58)40-26-31-44(32-27-40)63-53-18-8-4-14-46(53)47-15-5-9-19-54(47)63;1-2-12-44(13-3-1)64-55-20-10-7-17-50(55)62-59(64)42-28-26-41(27-29-42)58-60-51(39-24-22-38(23-25-39)43-32-35-57-49(36-43)48-16-6-11-21-56(48)65-57)37-52(61-58)40-30-33-45(34-31-40)63-53-18-8-4-14-46(53)47-15-5-9-19-54(47)63/h2*1-37H
InChIKeyVQDDOIBBZBJUGT-UHFFFAOYSA-N
MW1696.09 g/mol
LogP31.23
Rot. Bonds14

About 9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole

9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole (PubChem CID 161368437) has the molecular formula C118H74N10S2 and a molecular weight of 1696.09 g/mol. Its IUPAC name is 9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
PubChem CID161368437
Molecular FormulaC118H74N10S2
Molecular Weight1696.09 g/mol
Exact Mass1694.55
IUPAC Name9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4nc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)nc3ccccc32)cc1
InChIInChI=1S/2C59H37N5S/c1-2-12-42(13-3-1)59-62-50-17-7-10-20-55(50)64(59)45-33-28-41(29-34-45)58-60-51(39-24-22-38(23-25-39)43-30-35-57-49(36-43)48-16-6-11-21-56(48)65-57)37-52(61-58)40-26-31-44(32-27-40)63-53-18-8-4-14-46(53)47-15-5-9-19-54(47)63;1-2-12-44(13-3-1)64-55-20-10-7-17-50(55)62-59(64)42-28-26-41(27-29-42)58-60-51(39-24-22-38(23-25-39)43-32-35-57-49(36-43)48-16-6-11-21-56(48)65-57)37-52(61-58)40-30-33-45(34-31-40)63-53-18-8-4-14-46(53)47-15-5-9-19-54(47)63/h2*1-37H
InChIKeyVQDDOIBBZBJUGT-UHFFFAOYSA-N
XLogP31.23
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.09
LogP ≤ 531.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole with MolForge

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Related Compounds

9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
CID 155356641
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
3-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;methane
CID 161295747
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179575
9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 139555195
2-[4-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]quinoline-4-carbonitrile
CID 121337928
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
9-[3-[2,6-bis[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]-3-dibenzothiophen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[4-[4-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-6-yl]phenyl]carbazole
CID 160894019
9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole
CID 163417517
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 157448402
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole (CID 161368437) is 9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4nc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is VQDDOIBBZBJUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H37N5S/c1-2-12-42(13-3-1)59-62-50-17-7-10-20-55(50)64(59)45-33-28-41(29-34-45)58-60-51(39-24-22-38(23-25-39)43-30-35-57-49(36-43)48-16-6-11-21-56(48)65-57)37-52(61-58)40-26-31-44(32-27-40)63-53-18-8-4-14-46(53)47-15-5-9-19-54(47)63;1-2-12-44(13-3-1)64-55-20-10-7-17-50(55)62-59(64)42-28-26-41(27-29-42)58-60-51(39-24-22-38(23-25-39)43-32-35-57-49(36-43)48-16-6-11-21-56(48)65-57)37-52(61-58)40-30-33-45(34-31-40)63-53-18-8-4-14-46(53)47-15-5-9-19-54(47)63/h2*1-37H.
What are the key properties of 9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole?
9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 1696.09 g/mol, XLogP of 31.23, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 161368437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).