2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile

C188H116N20 — CID 162053179

IUPAC2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)c1.N#Cc1cccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccccc1-c1nc(-c2ccccc2)cc(-c2ccccc2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)n1.[C-]#[N+]c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/4C47H29N5/c1-48-33-26-24-32(25-27-33)47-49-39(31-14-4-2-5-15-31)30-40(50-47)37-19-9-12-22-42(37)52-41-21-11-8-18-35(41)36-28-29-44-45(46(36)52)38-20-10-13-23-43(38)51(44)34-16-6-3-7-17-34;48-30-33-19-14-26-42(44(33)39-29-38(31-15-4-1-5-16-31)49-47(50-39)32-17-6-2-7-18-32)52-40-24-12-10-22-35(40)36-27-28-43-45(46(36)52)37-23-11-13-25-41(37)51(43)34-20-8-3-9-21-34;48-30-31-14-13-17-33(28-31)47-49-39(32-15-3-1-4-16-32)29-40(50-47)37-21-8-11-24-42(37)52-41-23-10-7-20-35(41)36-26-27-44-45(46(36)52)38-22-9-12-25-43(38)51(44)34-18-5-2-6-19-34;48-30-32-17-7-8-20-34(32)47-49-39(31-15-3-1-4-16-31)29-40(50-47)37-22-10-13-25-42(37)52-41-24-12-9-21-35(41)36-27-28-44-45(46(36)52)38-23-11-14-26-43(38)51(44)33-18-5-2-6-19-33/h2-30H;3*1-29H
InChIKeyYYUYTQZOHYZQMJ-UHFFFAOYSA-N
MW2655.14 g/mol
LogP46.85
Rot. Bonds20

About 2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile

2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile (PubChem CID 162053179) has the molecular formula C188H116N20 and a molecular weight of 2655.14 g/mol. Its IUPAC name is 2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile
PubChem CID162053179
Molecular FormulaC188H116N20
Molecular Weight2655.14 g/mol
Exact Mass2652.97
IUPAC Name2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)c1.N#Cc1cccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccccc1-c1nc(-c2ccccc2)cc(-c2ccccc2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)n1.[C-]#[N+]c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/4C47H29N5/c1-48-33-26-24-32(25-27-33)47-49-39(31-14-4-2-5-15-31)30-40(50-47)37-19-9-12-22-42(37)52-41-21-11-8-18-35(41)36-28-29-44-45(46(36)52)38-20-10-13-23-43(38)51(44)34-16-6-3-7-17-34;48-30-33-19-14-26-42(44(33)39-29-38(31-15-4-1-5-16-31)49-47(50-39)32-17-6-2-7-18-32)52-40-24-12-10-22-35(40)36-27-28-43-45(46(36)52)37-23-11-13-25-41(37)51(43)34-20-8-3-9-21-34;48-30-31-14-13-17-33(28-31)47-49-39(32-15-3-1-4-16-32)29-40(50-47)37-21-8-11-24-42(37)52-41-23-10-7-20-35(41)36-26-27-44-45(46(36)52)38-22-9-12-25-43(38)51(44)34-18-5-2-6-19-34;48-30-32-17-7-8-20-34(32)47-49-39(31-15-3-1-4-16-31)29-40(50-47)37-22-10-13-25-42(37)52-41-24-12-9-21-35(41)36-27-28-44-45(46(36)52)38-23-11-14-26-43(38)51(44)33-18-5-2-6-19-33/h2-30H;3*1-29H
InChIKeyYYUYTQZOHYZQMJ-UHFFFAOYSA-N
XLogP46.85
TPSA218.29 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002655.14
LogP ≤ 546.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile with MolForge

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Related Compounds

4-[5-(2,6-diphenylpyrimidin-4-yl)-3-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 155656596
12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole
CID 140820513
3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170447156
4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664969
5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170444631
3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 155446842
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-7-(3-isocyanophenyl)carbazol-2-yl]benzonitrile
CID 155628103
12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 155240321
4-(4,6-diphenylpyrimidin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 177100715
3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile
CID 169035789
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-isocyano-5-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole-2-carbonitrile;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole-10-carbonitrile;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[2,3-g]carbazole-3-carbonitrile
CID 158229297
3-[9-[2-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-[2-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile;4-[9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 159553292

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile?
The IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile (CID 162053179) is 2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile.
What is the SMILES notation for 2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile?
The canonical SMILES for 2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile is N#Cc1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)c1.N#Cc1cccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccccc1-c1nc(-c2ccccc2)cc(-c2ccccc2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)n1.[C-]#[N+]c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile?
The InChIKey is YYUYTQZOHYZQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C47H29N5/c1-48-33-26-24-32(25-27-33)47-49-39(31-14-4-2-5-15-31)30-40(50-47)37-19-9-12-22-42(37)52-41-21-11-8-18-35(41)36-28-29-44-45(46(36)52)38-20-10-13-23-43(38)51(44)34-16-6-3-7-17-34;48-30-33-19-14-26-42(44(33)39-29-38(31-15-4-1-5-16-31)49-47(50-39)32-17-6-2-7-18-32)52-40-24-12-10-22-35(40)36-27-28-43-45(46(36)52)37-23-11-13-25-41(37)51(43)34-20-8-3-9-21-34;48-30-31-14-13-17-33(28-31)47-49-39(32-15-3-1-4-16-32)29-40(50-47)37-21-8-11-24-42(37)52-41-23-10-7-20-35(41)36-26-27-44-45(46(36)52)38-22-9-12-25-43(38)51(44)34-18-5-2-6-19-34;48-30-32-17-7-8-20-34(32)47-49-39(31-15-3-1-4-16-31)29-40(50-47)37-22-10-13-25-42(37)52-41-24-12-9-21-35(41)36-27-28-44-45(46(36)52)38-23-11-14-26-43(38)51(44)33-18-5-2-6-19-33/h2-30H;3*1-29H.
What are the key properties of 2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile?
2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile has a molecular weight of 2655.14 g/mol, XLogP of 46.85, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile is sourced from PubChem (CID 162053179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).