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

C185H123N21 — CID 157333624

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

2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-3-isocyanobenzonitrile (PubChem CID 157333624) has the molecular formula C185H123N21 and a molecular weight of 2640.17 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-3-isocyanobenzonitrile.

Molecular Properties

• Compound Name: 2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-3-isocyanobenzonitrile
• PubChem CID: 157333624
• Molecular Formula: C185H123N21
• Molecular Weight: 2640.17 g/mol
• Exact Mass: 2638.03
• IUPAC Name: 2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-3-isocyanobenzonitrile
• SMILES: CC1(C)c2ccccc2N(c2cc(-c3cccc(-c4cc(C#N)cc(C#N)c4)c3)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3cccc(-c4cc(C#N)ccc4C#N)c3)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.[C-]#[N+]c1cc(C#N)cc(C#N)c1-c1cccc(-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1.[C-]#[N+]c1cccc(C#N)c1-c1cccc(-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1
• InChI: InChI=1S/C47H30N6.3C46H31N5/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;1-46(2)38-16-5-8-20-43(38)51(44-21-9-6-17-39(44)46)35-26-33(30-12-10-13-31(24-30)45-32(28-47)14-11-18-40(45)48-3)25-34(27-35)50-41-19-7-4-15-36(41)37-29-49-23-22-42(37)50;1-46(2)40-13-4-7-16-44(40)51(45-17-8-5-14-41(45)46)37-25-35(33-11-9-10-32(23-33)34-21-30(27-47)20-31(22-34)28-48)24-36(26-37)50-42-15-6-3-12-38(42)39-29-49-19-18-43(39)50;1-46(2)40-13-4-7-16-44(40)51(45-17-8-5-14-41(45)46)36-25-34(31-10-9-11-32(23-31)38-22-30(27-47)18-19-33(38)28-48)24-35(26-36)50-42-15-6-3-12-37(42)39-29-49-21-20-43(39)50/h4-26,29H,1-2H3;4-27,29H,1-2H3;2*3-26,29H,1-2H3
• InChIKey: BFOROXZFOPCTPA-UHFFFAOYSA-N
• XLogP: 46.69
• TPSA: 259.49 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2640.17
LogP ≤ 5	46.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-3-isocyanobenzonitrile (CID 157333624) is 2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-3-isocyanobenzonitrile.

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

The canonical SMILES for 2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-3-isocyanobenzonitrile is CC1(C)c2ccccc2N(c2cc(-c3cccc(-c4cc(C#N)cc(C#N)c4)c3)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3cccc(-c4cc(C#N)ccc4C#N)c3)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.[C-]#[N+]c1cc(C#N)cc(C#N)c1-c1cccc(-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1.[C-]#[N+]c1cccc(C#N)c1-c1cccc(-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1.

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

The InChIKey is BFOROXZFOPCTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N6.3C46H31N5/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;1-46(2)38-16-5-8-20-43(38)51(44-21-9-6-17-39(44)46)35-26-33(30-12-10-13-31(24-30)45-32(28-47)14-11-18-40(45)48-3)25-34(27-35)50-41-19-7-4-15-36(41)37-29-49-23-22-42(37)50;1-46(2)40-13-4-7-16-44(40)51(45-17-8-5-14-41(45)46)37-25-35(33-11-9-10-32(23-33)34-21-30(27-47)20-31(22-34)28-48)24-36(26-37)50-42-15-6-3-12-38(42)39-29-49-19-18-43(39)50;1-46(2)40-13-4-7-16-44(40)51(45-17-8-5-14-41(45)46)36-25-34(31-10-9-11-32(23-31)38-22-30(27-47)18-19-33(38)28-48)24-35(26-36)50-42-15-6-3-12-37(42)39-29-49-21-20-43(39)50/h4-26,29H,1-2H3;4-27,29H,1-2H3;2*3-26,29H,1-2H3.

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

2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-3-isocyanobenzonitrile has a molecular weight of 2640.17 g/mol, XLogP of 46.69, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;5-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-3-isocyanobenzonitrile is sourced from PubChem (CID 157333624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).