9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene

C87H82N2 — CID 145016917

About 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene

9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene (PubChem CID 145016917) has the molecular formula C87H82N2 and a molecular weight of 1155.63 g/mol. Its IUPAC name is 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene.

Molecular Properties

• Compound Name: 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene
• PubChem CID: 145016917
• Molecular Formula: C87H82N2
• Molecular Weight: 1155.63 g/mol
• Exact Mass: 1154.65
• IUPAC Name: 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene
• SMILES: C=C(/N=C(\C)c1cccc(C)c1C1=C(C)C=CC(C)C1)c1ccccc1.C=C(C)C.CC.Cc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2)ccc1C
• InChI: InChI=1S/C56H41N.C25H27N.C4H8.C2H6/c1-38-15-9-10-24-51(38)53-36-46(28-27-39(53)2)47-29-30-56-54(37-47)52-25-11-12-26-55(52)57(56)50-34-48(44-22-13-20-42(31-44)40-16-5-3-6-17-40)33-49(35-50)45-23-14-21-43(32-45)41-18-7-4-8-19-41;1-17-14-15-18(2)24(16-17)25-19(3)10-9-13-23(25)21(5)26-20(4)22-11-7-6-8-12-22;1-4(2)3;1-2/h3-37H,1-2H3;6-15,17H,4,16H2,1-3,5H3;1H2,2-3H3;1-2H3/b;26-21+
• InChIKey: IRBRREMNBANZDH-GCPPRROUSA-N
• XLogP: 24.86
• TPSA: 17.29 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.63
LogP ≤ 5	24.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene?

The IUPAC name of 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene (CID 145016917) is 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene.

What is the SMILES notation for 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene?

The canonical SMILES for 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene is C=C(/N=C(\C)c1cccc(C)c1C1=C(C)C=CC(C)C1)c1ccccc1.C=C(C)C.CC.Cc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4ccccc4)c3)cc(-c3cccc(-c4ccccc4)c3)c2)ccc1C.

What is the InChIKey of 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene?

The InChIKey is IRBRREMNBANZDH-GCPPRROUSA-N. The full InChI is InChI=1S/C56H41N.C25H27N.C4H8.C2H6/c1-38-15-9-10-24-51(38)53-36-46(28-27-39(53)2)47-29-30-56-54(37-47)52-25-11-12-26-55(52)57(56)50-34-48(44-22-13-20-42(31-44)40-16-5-3-6-17-40)33-49(35-50)45-23-14-21-43(32-45)41-18-7-4-8-19-41;1-17-14-15-18(2)24(16-17)25-19(3)10-9-13-23(25)21(5)26-20(4)22-11-7-6-8-12-22;1-4(2)3;1-2/h3-37H,1-2H3;6-15,17H,4,16H2,1-3,5H3;1H2,2-3H3;1-2H3/b;26-21+;;.

What are the key properties of 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene?

9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene has a molecular weight of 1155.63 g/mol, XLogP of 24.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3,5-bis(3-phenylphenyl)phenyl]-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;1-[2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-N-(1-phenylethenyl)ethanimine;ethane;2-methylprop-1-ene is sourced from PubChem (CID 145016917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).