2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile

C156H96N16O4 — CID 157086420

About 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile

2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile (PubChem CID 157086420) has the molecular formula C156H96N16O4 and a molecular weight of 2258.59 g/mol. Its IUPAC name is 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile.

Molecular Properties

• Compound Name: 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile
• PubChem CID: 157086420
• Molecular Formula: C156H96N16O4
• Molecular Weight: 2258.59 g/mol
• Exact Mass: 2256.78
• IUPAC Name: 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile
• SMILES: COc1ccc2c(c1)c1c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc1n2-c1cccc(C#N)c1C#N.[C-]#[N+]c1cc(C#N)cc(-n2c3ccc(OC)cc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(OC)cc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(C#N)c1.[C-]#[N+]c1ccc(-n2c3ccc(OC)cc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1C#N
• InChI: InChI=1S/4C39H24N4O/c1-41-27-16-19-34(26(21-27)24-40)43-36-20-17-29(44-2)23-33(36)39-30(12-8-14-37(39)43)25-15-18-32-31-11-6-7-13-35(31)42(38(32)22-25)28-9-4-3-5-10-28;1-41-34-19-16-28(21-26(34)24-40)43-36-20-17-29(44-2)23-33(36)39-30(12-8-14-37(39)43)25-15-18-32-31-11-6-7-13-35(31)42(38(32)22-25)27-9-4-3-5-10-27;1-41-27-19-25(24-40)20-29(22-27)43-37-18-16-30(44-2)23-34(37)39-31(12-8-14-38(39)43)26-15-17-36-33(21-26)32-11-6-7-13-35(32)42(36)28-9-4-3-5-10-28;1-44-28-18-20-36-32(22-28)39-29(13-8-16-37(39)43(36)35-15-7-9-26(23-40)33(35)24-41)25-17-19-31-30-12-5-6-14-34(30)42(38(31)21-25)27-10-3-2-4-11-27/h3*3-23H,2H3;2-22H,1H3
• InChIKey: AEDGMEOJPAWWEZ-UHFFFAOYSA-N
• XLogP: 39.24
• TPSA: 208.39 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2258.59
LogP ≤ 5	39.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile?

The IUPAC name of 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile (CID 157086420) is 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile.

What is the SMILES notation for 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile?

The canonical SMILES for 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile is COc1ccc2c(c1)c1c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc1n2-c1cccc(C#N)c1C#N.[C-]#[N+]c1cc(C#N)cc(-n2c3ccc(OC)cc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(OC)cc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(C#N)c1.[C-]#[N+]c1ccc(-n2c3ccc(OC)cc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1C#N.

What is the InChIKey of 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile?

The InChIKey is AEDGMEOJPAWWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C39H24N4O/c1-41-27-16-19-34(26(21-27)24-40)43-36-20-17-29(44-2)23-33(36)39-30(12-8-14-37(39)43)25-15-18-32-31-11-6-7-13-35(31)42(38(32)22-25)28-9-4-3-5-10-28;1-41-34-19-16-28(21-26(34)24-40)43-36-20-17-29(44-2)23-33(36)39-30(12-8-14-37(39)43)25-15-18-32-31-11-6-7-13-35(31)42(38(32)22-25)27-9-4-3-5-10-27;1-41-27-19-25(24-40)20-29(22-27)43-37-18-16-30(44-2)23-34(37)39-31(12-8-14-38(39)43)26-15-17-36-33(21-26)32-11-6-7-13-35(32)42(36)28-9-4-3-5-10-28;1-44-28-18-20-36-32(22-28)39-29(13-8-16-37(39)43(36)35-15-7-9-26(23-40)33(35)24-41)25-17-19-31-30-12-5-6-14-34(30)42(38(31)21-25)27-10-3-2-4-11-27/h3*3-23H,2H3;2-22H,1H3.

What are the key properties of 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile?

2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile has a molecular weight of 2258.59 g/mol, XLogP of 39.24, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 157086420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).