4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole

C178H126N12 — CID 157242392

About 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole

4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole (PubChem CID 157242392) has the molecular formula C178H126N12 and a molecular weight of 2433.05 g/mol. Its IUPAC name is 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole
• PubChem CID: 157242392
• Molecular Formula: C178H126N12
• Molecular Weight: 2433.05 g/mol
• Exact Mass: 2431.02
• IUPAC Name: 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole
• SMILES: Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(C#N)c(-c4ccncc4)cc3-n3c4cc(-c5ccccc5C)ccc4c4ccc(-c5ccccc5C)cc43)c2c1.[C-]#[N+]c1cc(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)cc1-c1ccncc1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)cc1-c1ccncc1
• InChI: InChI=1S/2C64H46N4.C50H34N4/c1-40-14-6-10-18-49(40)45-22-26-59-54(34-45)55-35-46(50-19-11-7-15-41(50)2)23-27-60(55)67(59)63-38-53(44-30-32-66-33-31-44)58(65-5)39-64(63)68-61-28-24-47(51-20-12-8-16-42(51)3)36-56(61)57-37-48(25-29-62(57)68)52-21-13-9-17-43(52)4;1-40-13-5-9-17-50(40)45-21-25-54-55-26-22-46(51-18-10-6-14-41(51)2)34-60(55)67(59(54)33-45)63-37-49(39-65)58(44-29-31-66-32-30-44)38-64(63)68-61-35-47(52-19-11-7-15-42(52)3)23-27-56(61)57-28-24-48(36-62(57)68)53-20-12-8-16-43(53)4;1-32-12-4-6-14-37(32)35-20-22-47-42(28-35)39-16-8-10-18-45(39)53(47)49-30-41(34-24-26-52-27-25-34)44(51-3)31-50(49)54-46-19-11-9-17-40(46)43-29-36(21-23-48(43)54)38-15-7-5-13-33(38)2/h6-39H,1-4H3;5-38H,1-4H3;4-31H,1-2H3
• InChIKey: AVIZSBZWDBGMBB-UHFFFAOYSA-N
• XLogP: 47.56
• TPSA: 100.76 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2433.05
LogP ≤ 5	47.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole?

The IUPAC name of 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole (CID 157242392) is 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole.

What is the SMILES notation for 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole?

The canonical SMILES for 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(C#N)c(-c4ccncc4)cc3-n3c4cc(-c5ccccc5C)ccc4c4ccc(-c5ccccc5C)cc43)c2c1.[C-]#[N+]c1cc(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)cc1-c1ccncc1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)cc1-c1ccncc1.

What is the InChIKey of 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole?

The InChIKey is AVIZSBZWDBGMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H46N4.C50H34N4/c1-40-14-6-10-18-49(40)45-22-26-59-54(34-45)55-35-46(50-19-11-7-15-41(50)2)23-27-60(55)67(59)63-38-53(44-30-32-66-33-31-44)58(65-5)39-64(63)68-61-28-24-47(51-20-12-8-16-42(51)3)36-56(61)57-37-48(25-29-62(57)68)52-21-13-9-17-43(52)4;1-40-13-5-9-17-50(40)45-21-25-54-55-26-22-46(51-18-10-6-14-41(51)2)34-60(55)67(59(54)33-45)63-37-49(39-65)58(44-29-31-66-32-30-44)38-64(63)68-61-35-47(52-19-11-7-15-42(52)3)23-27-56(61)57-28-24-48(36-62(57)68)53-20-12-8-16-43(53)4;1-32-12-4-6-14-37(32)35-20-22-47-42(28-35)39-16-8-10-18-45(39)53(47)49-30-41(34-24-26-52-27-25-34)44(51-3)31-50(49)54-46-19-11-9-17-40(46)43-29-36(21-23-48(43)54)38-15-7-5-13-33(38)2/h6-39H,1-4H3;5-38H,1-4H3;4-31H,1-2H3.

What are the key properties of 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole?

4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole has a molecular weight of 2433.05 g/mol, XLogP of 47.56, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole is sourced from PubChem (CID 157242392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).