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

C232H153N27 — CID 157459258

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

2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile (PubChem CID 157459258) has the molecular formula C232H153N27 and a molecular weight of 3318.96 g/mol. Its IUPAC name is 2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile.

Molecular Properties

• Compound Name: 2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile
• PubChem CID: 157459258
• Molecular Formula: C232H153N27
• Molecular Weight: 3318.96 g/mol
• Exact Mass: 3316.28
• IUPAC Name: 2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile
• SMILES: CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3c(C#N)cccc3C#N)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3cc(C#N)ccc3C#N)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.[C-]#[N+]c1cc(C#N)c(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c(C#N)c1.[C-]#[N+]c1cc(C#N)c(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)cc1C#N.[C-]#[N+]c1cc(C#N)cc(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1
• InChI: InChI=1S/2C47H30N6.3C46H31N5/c1-47(2)40-15-7-10-18-44(40)53(45-19-11-8-16-41(45)47)35-25-30(24-34(26-35)52-42-17-9-6-13-37(42)39-29-51-21-20-43(39)52)36-12-4-5-14-38(36)46-31(27-48)22-33(50-3)23-32(46)28-49;1-47(2)40-15-7-10-18-45(40)53(46-19-11-8-16-41(46)47)34-23-30(22-33(26-34)52-43-17-9-6-14-37(43)39-29-51-21-20-44(39)52)35-12-4-5-13-36(35)38-24-32(28-49)42(50-3)25-31(38)27-48;1-46(2)40-15-7-10-18-44(40)51(45-19-11-8-16-41(45)46)35-26-32(37-13-5-4-12-36(37)31-22-30(28-47)23-33(24-31)48-3)25-34(27-35)50-42-17-9-6-14-38(42)39-29-49-21-20-43(39)50;1-46(2)39-17-6-9-20-43(39)51(44-21-10-7-18-40(44)46)34-25-32(35-14-3-4-16-37(35)45-30(27-47)12-11-13-31(45)28-48)24-33(26-34)50-41-19-8-5-15-36(41)38-29-49-23-22-42(38)50;1-46(2)40-14-6-9-17-44(40)51(45-18-10-7-15-41(45)46)34-25-32(35-11-3-4-12-36(35)38-23-30(27-47)19-20-31(38)28-48)24-33(26-34)50-42-16-8-5-13-37(42)39-29-49-22-21-43(39)50/h2*4-26,29H,1-2H3;4-27,29H,1-2H3;2*3-26,29H,1-2H3
• InChIKey: BTSQFGMALXPGSM-UHFFFAOYSA-N
• XLogP: 58.61
• TPSA: 332.49 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3318.96
LogP ≤ 5	58.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile?

The IUPAC name of 2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile (CID 157459258) is 2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile.

What is the SMILES notation for 2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile?

The canonical SMILES for 2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile is CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3c(C#N)cccc3C#N)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3cc(C#N)ccc3C#N)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.[C-]#[N+]c1cc(C#N)c(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c(C#N)c1.[C-]#[N+]c1cc(C#N)c(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)cc1C#N.[C-]#[N+]c1cc(C#N)cc(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1.

What is the InChIKey of 2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile?

The InChIKey is BTSQFGMALXPGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H30N6.3C46H31N5/c1-47(2)40-15-7-10-18-44(40)53(45-19-11-8-16-41(45)47)35-25-30(24-34(26-35)52-42-17-9-6-13-37(42)39-29-51-21-20-43(39)52)36-12-4-5-14-38(36)46-31(27-48)22-33(50-3)23-32(46)28-49;1-47(2)40-15-7-10-18-45(40)53(46-19-11-8-16-41(46)47)34-23-30(22-33(26-34)52-43-17-9-6-14-37(43)39-29-51-21-20-44(39)52)35-12-4-5-13-36(35)38-24-32(28-49)42(50-3)25-31(38)27-48;1-46(2)40-15-7-10-18-44(40)51(45-19-11-8-16-41(45)46)35-26-32(37-13-5-4-12-36(37)31-22-30(28-47)23-33(24-31)48-3)25-34(27-35)50-42-17-9-6-14-38(42)39-29-49-21-20-43(39)50;1-46(2)39-17-6-9-20-43(39)51(44-21-10-7-18-40(44)46)34-25-32(35-14-3-4-16-37(35)45-30(27-47)12-11-13-31(45)28-48)24-33(26-34)50-41-19-8-5-15-36(41)38-29-49-23-22-42(38)50;1-46(2)40-14-6-9-17-44(40)51(45-18-10-7-15-41(45)46)34-25-32(35-11-3-4-12-36(35)38-23-30(27-47)19-20-31(38)28-48)24-33(26-34)50-42-16-8-5-13-37(42)39-29-49-22-21-43(39)50/h2*4-26,29H,1-2H3;4-27,29H,1-2H3;2*3-26,29H,1-2H3.

What are the key properties of 2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile?

2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile has a molecular weight of 3318.96 g/mol, XLogP of 58.61, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile is sourced from PubChem (CID 157459258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).