9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole

C120H80N12S — CID 158461843

IUPAC9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-c5ccncc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccs4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cnc[nH]4)n3)cc2)cc1
InChIInChI=1S/C45H30N4.C38H25N3S.C37H25N5/c1-2-8-31(9-3-1)32-14-18-35(19-15-32)41-30-42(48-45(47-41)37-20-16-33(17-21-37)34-26-28-46-29-27-34)36-22-24-38(25-23-36)49-43-12-6-4-10-39(43)40-11-5-7-13-44(40)49;1-2-9-26(10-3-1)27-16-18-28(19-17-27)33-25-34(40-38(39-33)37-15-8-24-42-37)29-20-22-30(23-21-29)41-35-13-6-4-11-31(35)32-12-5-7-14-36(32)41;1-2-8-25(9-3-1)26-14-16-27(17-15-26)32-22-33(41-37(40-32)34-23-38-24-39-34)28-18-20-29(21-19-28)42-35-12-6-4-10-30(35)31-11-5-7-13-36(31)42/h1-30H;1-25H;1-24H,(H,38,39)
InChIKeyHFGSHDMZHDTIFH-UHFFFAOYSA-N
MW1722.11 g/mol
LogP30.57
Rot. Bonds16

About 9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole

9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole (PubChem CID 158461843) has the molecular formula C120H80N12S and a molecular weight of 1722.11 g/mol. Its IUPAC name is 9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole
PubChem CID158461843
Molecular FormulaC120H80N12S
Molecular Weight1722.11 g/mol
Exact Mass1720.63
IUPAC Name9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-c5ccncc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccs4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cnc[nH]4)n3)cc2)cc1
InChIInChI=1S/C45H30N4.C38H25N3S.C37H25N5/c1-2-8-31(9-3-1)32-14-18-35(19-15-32)41-30-42(48-45(47-41)37-20-16-33(17-21-37)34-26-28-46-29-27-34)36-22-24-38(25-23-36)49-43-12-6-4-10-39(43)40-11-5-7-13-44(40)49;1-2-9-26(10-3-1)27-16-18-28(19-17-27)33-25-34(40-38(39-33)37-15-8-24-42-37)29-20-22-30(23-21-29)41-35-13-6-4-11-31(35)32-12-5-7-14-36(32)41;1-2-8-25(9-3-1)26-14-16-27(17-15-26)32-22-33(41-37(40-32)34-23-38-24-39-34)28-18-20-29(21-19-28)42-35-12-6-4-10-30(35)31-11-5-7-13-36(31)42/h1-30H;1-25H;1-24H,(H,38,39)
InChIKeyHFGSHDMZHDTIFH-UHFFFAOYSA-N
XLogP30.57
TPSA133.70 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001722.11
LogP ≤ 530.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole with MolForge

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Related Compounds

2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole
CID 44530531
US11420958, Ex. No. 343
CID 151649400
Tld-1433
CID 145722627
2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium
CID 90810981
2-(2,3-difluorophenyl)-5-[[3-fluoro-4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium
CID 90979766
5-[[4-(1-benzothiophen-3-yl)phenyl]methyl]-2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium
CID 91014204
6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-ethyl-4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydroquinoline
CID 123193640
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrrolo[3,2-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 135299125
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-[[3-[7-(5-fluorothiophen-2-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137024832
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145034290
5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-[4-fluoro-3-[6-[2-(4-fluoro-3-methylphenyl)-5-(1H-imidazol-5-ylmethylamino)-3-pyridinyl]-1,3-benzothiazol-4-yl]-5-methylphenyl]pyridin-3-amine
CID 155371071
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2-morpholin-4-yl-9-thiophen-3-yl-N-[[4-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine;2-morpholin-4-yl-9-thiophen-3-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine
CID 157406004

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole (CID 158461843) is 9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-c5ccncc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccs4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cnc[nH]4)n3)cc2)cc1.
What is the InChIKey of 9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole?
The InChIKey is HFGSHDMZHDTIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4.C38H25N3S.C37H25N5/c1-2-8-31(9-3-1)32-14-18-35(19-15-32)41-30-42(48-45(47-41)37-20-16-33(17-21-37)34-26-28-46-29-27-34)36-22-24-38(25-23-36)49-43-12-6-4-10-39(43)40-11-5-7-13-44(40)49;1-2-9-26(10-3-1)27-16-18-28(19-17-27)33-25-34(40-38(39-33)37-15-8-24-42-37)29-20-22-30(23-21-29)41-35-13-6-4-11-31(35)32-12-5-7-14-36(32)41;1-2-8-25(9-3-1)26-14-16-27(17-15-26)32-22-33(41-37(40-32)34-23-38-24-39-34)28-18-20-29(21-19-28)42-35-12-6-4-10-30(35)31-11-5-7-13-36(31)42/h1-30H;1-25H;1-24H,(H,38,39).
What are the key properties of 9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole?
9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole has a molecular weight of 1722.11 g/mol, XLogP of 30.57, 16 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(1H-imidazol-5-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 158461843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).