4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile

C147H99N9 — CID 157394958

IUPAC4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccc(C#N)cc2)cc(-c2cc(-c3ccccc3)c3ccccc3n2)c1.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccc(C#N)cc2)cc(-c2cc(-c3ccccc3)c3ccccc3n2)c1.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)cc(-c5cc(-c6ccccc6)nc6ccccc56)c4)c3c21
InChIInChI=1S/3C49H33N3/c1-49(2)43-17-9-6-14-37(43)41-29-48-42(27-44(41)49)39-16-8-11-19-47(39)52(48)36-25-34(32-22-20-31(30-50)21-23-32)24-35(26-36)46-28-40(33-12-4-3-5-13-33)38-15-7-10-18-45(38)51-46;1-49(2)42-17-9-6-14-37(42)39-24-25-46-47(48(39)49)40-16-8-11-19-45(40)52(46)36-27-34(32-22-20-31(30-50)21-23-32)26-35(28-36)44-29-41(33-12-4-3-5-13-33)38-15-7-10-18-43(38)51-44;1-49(2)43-17-9-6-14-37(43)40-24-25-41-39-16-8-11-19-46(39)52(48(41)47(40)49)36-27-34(32-22-20-31(30-50)21-23-32)26-35(28-36)42-29-45(33-12-4-3-5-13-33)51-44-18-10-7-15-38(42)44/h3*3-29H,1-2H3
InChIKeyBMLNWYWCGFPIPM-UHFFFAOYSA-N
MW1991.47 g/mol
LogP37.53
Rot. Bonds12

About 4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile

4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile (PubChem CID 157394958) has the molecular formula C147H99N9 and a molecular weight of 1991.47 g/mol. Its IUPAC name is 4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile
PubChem CID157394958
Molecular FormulaC147H99N9
Molecular Weight1991.47 g/mol
Exact Mass1989.80
IUPAC Name4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccc(C#N)cc2)cc(-c2cc(-c3ccccc3)c3ccccc3n2)c1.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccc(C#N)cc2)cc(-c2cc(-c3ccccc3)c3ccccc3n2)c1.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)cc(-c5cc(-c6ccccc6)nc6ccccc56)c4)c3c21
InChIInChI=1S/3C49H33N3/c1-49(2)43-17-9-6-14-37(43)41-29-48-42(27-44(41)49)39-16-8-11-19-47(39)52(48)36-25-34(32-22-20-31(30-50)21-23-32)24-35(26-36)46-28-40(33-12-4-3-5-13-33)38-15-7-10-18-45(38)51-46;1-49(2)42-17-9-6-14-37(42)39-24-25-46-47(48(39)49)40-16-8-11-19-45(40)52(46)36-27-34(32-22-20-31(30-50)21-23-32)26-35(28-36)44-29-41(33-12-4-3-5-13-33)38-15-7-10-18-43(38)51-44;1-49(2)43-17-9-6-14-37(43)40-24-25-41-39-16-8-11-19-46(39)52(48(41)47(40)49)36-27-34(32-22-20-31(30-50)21-23-32)26-35(28-36)42-29-45(33-12-4-3-5-13-33)51-44-18-10-7-15-38(42)44/h3*3-29H,1-2H3
InChIKeyBMLNWYWCGFPIPM-UHFFFAOYSA-N
XLogP37.53
TPSA124.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001991.47
LogP ≤ 537.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile with MolForge

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Related Compounds

4-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile
CID 140922496
2-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile
CID 129225661
4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]benzonitrile
CID 140922408
2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile
CID 129225653
4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]benzonitrile;4-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]benzonitrile
CID 159906958
4-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 140922153
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-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 129290978
4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 161328818
3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylbenzonitrile
CID 140922135
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 161090535

Frequently Asked Questions

What is the IUPAC name of 4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile?
The IUPAC name of 4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile (CID 157394958) is 4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccc(C#N)cc2)cc(-c2cc(-c3ccccc3)c3ccccc3n2)c1.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccc(C#N)cc2)cc(-c2cc(-c3ccccc3)c3ccccc3n2)c1.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)cc(-c5cc(-c6ccccc6)nc6ccccc56)c4)c3c21.
What is the InChIKey of 4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile?
The InChIKey is BMLNWYWCGFPIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C49H33N3/c1-49(2)43-17-9-6-14-37(43)41-29-48-42(27-44(41)49)39-16-8-11-19-47(39)52(48)36-25-34(32-22-20-31(30-50)21-23-32)24-35(26-36)46-28-40(33-12-4-3-5-13-33)38-15-7-10-18-45(38)51-46;1-49(2)42-17-9-6-14-37(42)39-24-25-46-47(48(39)49)40-16-8-11-19-45(40)52(46)36-27-34(32-22-20-31(30-50)21-23-32)26-35(28-36)44-29-41(33-12-4-3-5-13-33)38-15-7-10-18-43(38)51-44;1-49(2)43-17-9-6-14-37(43)40-24-25-41-39-16-8-11-19-46(39)52(48(41)47(40)49)36-27-34(32-22-20-31(30-50)21-23-32)26-35(28-36)42-29-45(33-12-4-3-5-13-33)51-44-18-10-7-15-38(42)44/h3*3-29H,1-2H3.
What are the key properties of 4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile?
4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile has a molecular weight of 1991.47 g/mol, XLogP of 37.53, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(2-phenylquinolin-4-yl)phenyl]benzonitrile;4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 157394958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).