2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile

C186H126N18 — CID 157245562

IUPAC2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2cc(-c3cccc(-c4cc(C#N)c(C#N)cc4C#N)c3)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3ccccc3C#N)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21.[C-]#[N+]c1cc(C#N)cc(C#N)c1-c1cccc(-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1.[C-]#[N+]c1cccc(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/2C47H30N6.2C46H33N3/c1-47(2)39-14-5-8-17-44(39)53(45-18-9-6-15-40(45)47)36-25-33(24-35(26-36)52-42-16-7-4-13-37(42)38-29-51-20-19-43(38)52)31-11-10-12-32(23-31)46-34(28-49)21-30(27-48)22-41(46)50-3;1-47(2)41-13-4-7-16-45(41)53(46-17-8-5-14-42(46)47)37-23-32(22-36(25-37)52-43-15-6-3-12-38(43)40-29-51-19-18-44(40)52)30-10-9-11-31(20-30)39-24-34(27-49)33(26-48)21-35(39)28-50;1-46(2)40-21-8-12-25-44(40)49(45-26-13-9-22-41(45)46)35-29-32(37-18-5-4-17-36(37)31-15-14-16-33(27-31)47-3)28-34(30-35)48-42-23-10-6-19-38(42)39-20-7-11-24-43(39)48;1-46(2)40-21-9-13-25-44(40)49(45-26-14-10-22-41(45)46)34-28-32(36-17-5-6-18-37(36)35-16-4-3-15-31(35)30-47)27-33(29-34)48-42-23-11-7-19-38(42)39-20-8-12-24-43(39)48/h4-26,29H,1-2H3;3-25,29H,1-2H3;4-30H,1-2H3;3-29H,1-2H3
InChIKeyAVSHWNLQMCYDKL-UHFFFAOYSA-N
MW2613.18 g/mol
LogP48.03
Rot. Bonds16

About 2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile

2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile (PubChem CID 157245562) has the molecular formula C186H126N18 and a molecular weight of 2613.18 g/mol. Its IUPAC name is 2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile
PubChem CID157245562
Molecular FormulaC186H126N18
Molecular Weight2613.18 g/mol
Exact Mass2611.04
IUPAC Name2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2cc(-c3cccc(-c4cc(C#N)c(C#N)cc4C#N)c3)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3ccccc3C#N)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21.[C-]#[N+]c1cc(C#N)cc(C#N)c1-c1cccc(-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1.[C-]#[N+]c1cccc(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/2C47H30N6.2C46H33N3/c1-47(2)39-14-5-8-17-44(39)53(45-18-9-6-15-40(45)47)36-25-33(24-35(26-36)52-42-16-7-4-13-37(42)38-29-51-20-19-43(38)52)31-11-10-12-32(23-31)46-34(28-49)21-30(27-48)22-41(46)50-3;1-47(2)41-13-4-7-16-45(41)53(46-17-8-5-14-42(46)47)37-23-32(22-36(25-37)52-43-15-6-3-12-38(43)40-29-51-19-18-44(40)52)30-10-9-11-31(20-30)39-24-34(27-49)33(26-48)21-35(39)28-50;1-46(2)40-21-8-12-25-44(40)49(45-26-13-9-22-41(45)46)35-29-32(37-18-5-4-17-36(37)31-15-14-16-33(27-31)47-3)28-34(30-35)48-42-23-10-6-19-38(42)39-20-7-11-24-43(39)48;1-46(2)40-21-9-13-25-44(40)49(45-26-14-10-22-41(45)46)34-28-32(36-17-5-6-18-37(36)35-16-4-3-15-31(35)30-47)27-33(29-34)48-42-23-11-7-19-38(42)39-20-8-12-24-43(39)48/h4-26,29H,1-2H3;3-25,29H,1-2H3;4-30H,1-2H3;3-29H,1-2H3
InChIKeyAVSHWNLQMCYDKL-UHFFFAOYSA-N
XLogP48.03
TPSA209.92 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002613.18
LogP ≤ 548.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile?
The IUPAC name of 2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile (CID 157245562) is 2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile is CC1(C)c2ccccc2N(c2cc(-c3cccc(-c4cc(C#N)c(C#N)cc4C#N)c3)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3ccccc3C#N)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21.[C-]#[N+]c1cc(C#N)cc(C#N)c1-c1cccc(-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1.[C-]#[N+]c1cccc(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile?
The InChIKey is AVSHWNLQMCYDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H30N6.2C46H33N3/c1-47(2)39-14-5-8-17-44(39)53(45-18-9-6-15-40(45)47)36-25-33(24-35(26-36)52-42-16-7-4-13-37(42)38-29-51-20-19-43(38)52)31-11-10-12-32(23-31)46-34(28-49)21-30(27-48)22-41(46)50-3;1-47(2)41-13-4-7-16-45(41)53(46-17-8-5-14-42(46)47)37-23-32(22-36(25-37)52-43-15-6-3-12-38(43)40-29-51-19-18-44(40)52)30-10-9-11-31(20-30)39-24-34(27-49)33(26-48)21-35(39)28-50;1-46(2)40-21-8-12-25-44(40)49(45-26-13-9-22-41(45)46)35-29-32(37-18-5-4-17-36(37)31-15-14-16-33(27-31)47-3)28-34(30-35)48-42-23-10-6-19-38(42)39-20-7-11-24-43(39)48;1-46(2)40-21-9-13-25-44(40)49(45-26-14-10-22-41(45)46)34-28-32(36-17-5-6-18-37(36)35-16-4-3-15-31(35)30-47)27-33(29-34)48-42-23-11-7-19-38(42)39-20-8-12-24-43(39)48/h4-26,29H,1-2H3;3-25,29H,1-2H3;4-30H,1-2H3;3-29H,1-2H3.
What are the key properties of 2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile?
2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile has a molecular weight of 2613.18 g/mol, XLogP of 48.03, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile;10-[3-carbazol-9-yl-5-[2-(3-isocyanophenyl)phenyl]phenyl]-9,9-dimethylacridine;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,2,4-tricarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile is sourced from PubChem (CID 157245562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).