9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene

C122H96N6 — CID 157291813

About 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene

9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene (PubChem CID 157291813) has the molecular formula C122H96N6 and a molecular weight of 1646.15 g/mol. Its IUPAC name is 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene.

Molecular Properties

• Compound Name: 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene
• PubChem CID: 157291813
• Molecular Formula: C122H96N6
• Molecular Weight: 1646.15 g/mol
• Exact Mass: 1644.77
• IUPAC Name: 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene
• SMILES: Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1.Cn1c2ccccc2c2cc(-c3cccc(-c4ccc5c6ccccc6n(C)c5c4)c3)ccc21.Cn1c2ccccc2c2cc(-c3ccccc3-c3cccc4c3c3ccccc3n4C)ccc21.Cn1c2ccccc2c2cc(-c3ccccc3-c3ccccc3-c3ccc4c(c3)c3ccccc3n4C)ccc21
• InChI: InChI=1S/C38H28N2.2C32H24N2.C13H12.C7H8/c1-39-35-17-9-7-15-31(35)33-23-25(19-21-37(33)39)27-11-3-5-13-29(27)30-14-6-4-12-28(30)26-20-22-38-34(24-26)32-16-8-10-18-36(32)40(38)2;1-33-30-13-6-4-11-26(30)28-19-23(15-17-31(28)33)21-8-7-9-22(18-21)24-14-16-27-25-10-3-5-12-29(25)34(2)32(27)20-24;1-33-28-15-7-5-12-24(28)27-20-21(18-19-30(27)33)22-10-3-4-11-23(22)25-14-9-17-31-32(25)26-13-6-8-16-29(26)34(31)2;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7/h3-24H,1-2H3;2*3-20H,1-2H3;2-10H,1H3;2-6H,1H3
• InChIKey: BAWZDMMVLBTUQM-UHFFFAOYSA-N
• XLogP: 32.26
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1646.15
LogP ≤ 5	32.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene?

The IUPAC name of 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene (CID 157291813) is 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene.

What is the SMILES notation for 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene?

The canonical SMILES for 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene is Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1.Cn1c2ccccc2c2cc(-c3cccc(-c4ccc5c6ccccc6n(C)c5c4)c3)ccc21.Cn1c2ccccc2c2cc(-c3ccccc3-c3cccc4c3c3ccccc3n4C)ccc21.Cn1c2ccccc2c2cc(-c3ccccc3-c3ccccc3-c3ccc4c(c3)c3ccccc3n4C)ccc21.

What is the InChIKey of 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene?

The InChIKey is BAWZDMMVLBTUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2.2C32H24N2.C13H12.C7H8/c1-39-35-17-9-7-15-31(35)33-23-25(19-21-37(33)39)27-11-3-5-13-29(27)30-14-6-4-12-28(30)26-20-22-38-34(24-26)32-16-8-10-18-36(32)40(38)2;1-33-30-13-6-4-11-26(30)28-19-23(15-17-31(28)33)21-8-7-9-22(18-21)24-14-16-27-25-10-3-5-12-29(25)34(2)32(27)20-24;1-33-28-15-7-5-12-24(28)27-20-21(18-19-30(27)33)22-10-3-4-11-23(22)25-14-9-17-31-32(25)26-13-6-8-16-29(26)34(31)2;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7/h3-24H,1-2H3;2*3-20H,1-2H3;2-10H,1H3;2-6H,1H3.

What are the key properties of 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene?

9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene has a molecular weight of 1646.15 g/mol, XLogP of 32.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene is sourced from PubChem (CID 157291813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).