3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile

C175H112N12 — CID 162229599

IUPAC3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5cccc(C#N)c5)cc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)c4)c3cc21.N#Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccccc6)c5)cc43)c2)c1.N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccc5ccccc5c4)n3)cc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c2)c1
InChIInChI=1S/C64H40N4.C58H38N4.C53H34N4/c65-41-42-17-16-22-45(33-42)48-35-49(63-66-59(44-19-4-1-5-20-44)40-60(67-63)47-32-31-43-18-10-11-21-46(43)34-47)37-52(36-48)68-61-30-15-13-28-54(61)56-38-55-53-27-12-14-29-57(53)64(58(55)39-62(56)68,50-23-6-2-7-24-50)51-25-8-3-9-26-51;1-58(2)51-20-9-7-18-47(51)49-32-50-48-19-8-10-21-55(48)62(56(50)33-52(49)58)46-30-44(39-17-11-12-36(26-39)35-59)29-45(31-46)57-60-53(42-24-22-37-13-3-5-15-40(37)27-42)34-54(61-57)43-25-23-38-14-4-6-16-41(38)28-43;54-35-36-14-12-21-40(28-36)44-30-45(50-34-49(38-17-6-2-7-18-38)55-53(56-50)39-19-8-3-9-20-39)32-46(31-44)57-51-25-11-10-24-47(51)48-27-26-43(33-52(48)57)42-23-13-22-41(29-42)37-15-4-1-5-16-37/h1-40H;3-34H,1-2H3;1-34H
InChIKeyZVFUZRGVMPOXJQ-UHFFFAOYSA-N
MW2382.90 g/mol
LogP43.80
Rot. Bonds19

About 3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile

3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile (PubChem CID 162229599) has the molecular formula C175H112N12 and a molecular weight of 2382.90 g/mol. Its IUPAC name is 3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
PubChem CID162229599
Molecular FormulaC175H112N12
Molecular Weight2382.90 g/mol
Exact Mass2380.91
IUPAC Name3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5cccc(C#N)c5)cc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)c4)c3cc21.N#Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccccc6)c5)cc43)c2)c1.N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccc5ccccc5c4)n3)cc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c2)c1
InChIInChI=1S/C64H40N4.C58H38N4.C53H34N4/c65-41-42-17-16-22-45(33-42)48-35-49(63-66-59(44-19-4-1-5-20-44)40-60(67-63)47-32-31-43-18-10-11-21-46(43)34-47)37-52(36-48)68-61-30-15-13-28-54(61)56-38-55-53-27-12-14-29-57(53)64(58(55)39-62(56)68,50-23-6-2-7-24-50)51-25-8-3-9-26-51;1-58(2)51-20-9-7-18-47(51)49-32-50-48-19-8-10-21-55(48)62(56(50)33-52(49)58)46-30-44(39-17-11-12-36(26-39)35-59)29-45(31-46)57-60-53(42-24-22-37-13-3-5-15-40(37)27-42)34-54(61-57)43-25-23-38-14-4-6-16-41(38)28-43;54-35-36-14-12-21-40(28-36)44-30-45(50-34-49(38-17-6-2-7-18-38)55-53(56-50)39-19-8-3-9-20-39)32-46(31-44)57-51-25-11-10-24-47(51)48-27-26-43(33-52(48)57)42-23-13-22-41(29-42)37-15-4-1-5-16-37/h1-40H;3-34H,1-2H3;1-34H
InChIKeyZVFUZRGVMPOXJQ-UHFFFAOYSA-N
XLogP43.80
TPSA163.50 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002382.90
LogP ≤ 543.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile with MolForge

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Related Compounds

3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzonitrile
CID 129225677
3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]benzonitrile
CID 140922348
3-[3-(7,7-dimethyl-3-phenylindeno[2,1-b]carbazol-5-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 140922439
4-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 140922153
3-[3-(2,6-diphenyl-4-pyridinyl)-5-(2-naphthalen-1-ylcarbazol-9-yl)phenyl]benzonitrile;3-[3-(2,6-diphenyl-4-pyridinyl)-5-(2-naphthalen-2-ylcarbazol-9-yl)phenyl]benzonitrile;3-[3-(2,6-diphenyl-4-pyridinyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 159832743
3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylbenzonitrile
CID 140922135
9-[3-carbazol-9-yl-5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158160241
3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]benzonitrile
CID 140922424
9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
CID 160637809
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole
CID 159972538
5-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)benzonitrile
CID 140922574

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile (CID 162229599) is 3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5cccc(C#N)c5)cc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)c4)c3cc21.N#Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccccc6)c5)cc43)c2)c1.N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccc5ccccc5c4)n3)cc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c2)c1.
What is the InChIKey of 3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is ZVFUZRGVMPOXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4.C58H38N4.C53H34N4/c65-41-42-17-16-22-45(33-42)48-35-49(63-66-59(44-19-4-1-5-20-44)40-60(67-63)47-32-31-43-18-10-11-21-46(43)34-47)37-52(36-48)68-61-30-15-13-28-54(61)56-38-55-53-27-12-14-29-57(53)64(58(55)39-62(56)68,50-23-6-2-7-24-50)51-25-8-3-9-26-51;1-58(2)51-20-9-7-18-47(51)49-32-50-48-19-8-10-21-55(48)62(56(50)33-52(49)58)46-30-44(39-17-11-12-36(26-39)35-59)29-45(31-46)57-60-53(42-24-22-37-13-3-5-15-40(37)27-42)34-54(61-57)43-25-23-38-14-4-6-16-41(38)28-43;54-35-36-14-12-21-40(28-36)44-30-45(50-34-49(38-17-6-2-7-18-38)55-53(56-50)39-19-8-3-9-20-39)32-46(31-44)57-51-25-11-10-24-47(51)48-27-26-43(33-52(48)57)42-23-13-22-41(29-42)37-15-4-1-5-16-37/h1-40H;3-34H,1-2H3;1-34H.
What are the key properties of 3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile?
3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 2382.90 g/mol, XLogP of 43.80, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 162229599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).