(Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene

C56H48N6 — CID 144645907

About (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene

(Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene (PubChem CID 144645907) has the molecular formula C56H48N6 and a molecular weight of 805.04 g/mol. Its IUPAC name is (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene.

Molecular Properties

• Compound Name: (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene
• PubChem CID: 144645907
• Molecular Formula: C56H48N6
• Molecular Weight: 805.04 g/mol
• Exact Mass: 804.39
• IUPAC Name: (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene
• SMILES: Cc1cccc(-n2c3ccccc3c3ccc4c(c(Nc5ccccc5)c(N)n4-c4ccccc4)c32)c1.Cc1ccccc1.[H]/N=C(/C=C(\N=C)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C33H26N4.C16H14N2.C7H8/c1-22-11-10-16-25(21-22)36-28-18-9-8-17-26(28)27-19-20-29-30(32(27)36)31(35-23-12-4-2-5-13-23)33(34)37(29)24-14-6-3-7-15-24;1-18-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13;1-7-5-3-2-4-6-7/h2-21,35H,34H2,1H3;2-12,17H,1H2;2-6H,1H3/b;16-12-,17-15-
• InChIKey: MIRJZTWPHSKNRA-WKOGQPAMSA-N
• XLogP: 14.15
• TPSA: 84.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.04
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene?

The IUPAC name of (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene (CID 144645907) is (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene.

What is the SMILES notation for (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene?

The canonical SMILES for (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene is Cc1cccc(-n2c3ccccc3c3ccc4c(c(Nc5ccccc5)c(N)n4-c4ccccc4)c32)c1.Cc1ccccc1.[H]/N=C(/C=C(\N=C)c1ccccc1)c1ccccc1.

What is the InChIKey of (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene?

The InChIKey is MIRJZTWPHSKNRA-WKOGQPAMSA-N. The full InChI is InChI=1S/C33H26N4.C16H14N2.C7H8/c1-22-11-10-16-25(21-22)36-28-18-9-8-17-26(28)27-19-20-29-30(32(27)36)31(35-23-12-4-2-5-13-23)33(34)37(29)24-14-6-3-7-15-24;1-18-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13;1-7-5-3-2-4-6-7/h2-21,35H,34H2,1H3;2-12,17H,1H2;2-6H,1H3/b;16-12-,17-15-;.

What are the key properties of (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene?

(Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene has a molecular weight of 805.04 g/mol, XLogP of 14.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene is sourced from PubChem (CID 144645907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).