4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile

C44H36N2 — CID 135233648

About 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile

4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile (PubChem CID 135233648) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile
• PubChem CID: 135233648
• Molecular Formula: C44H36N2
• Molecular Weight: 592.79 g/mol
• Exact Mass: 592.29
• IUPAC Name: 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile
• SMILES: C/C=c1\c(=C/CC2=CC3=C(CC2)Cc2ccc(-c4ccc(C#N)cc4)cc23)c2c(n1-c1ccc(-c3ccccc3)cc1)C=CCC2
• InChI: InChI=1S/C44H36N2/c1-2-43-40(39-10-6-7-11-44(39)46(43)38-23-21-33(22-24-38)32-8-4-3-5-9-32)25-15-30-12-18-36-27-37-20-19-35(28-42(37)41(36)26-30)34-16-13-31(29-45)14-17-34/h2-5,7-9,11,13-14,16-17,19-26,28H,6,10,12,15,18,27H2,1H3/b40-25-,43-2+
• InChIKey: DWFWIFWWKCYAER-MBGIGFMSSA-N
• XLogP: 9.34
• TPSA: 28.72 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.79
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile?

The IUPAC name of 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile (CID 135233648) is 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile.

What is the SMILES notation for 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile?

The canonical SMILES for 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile is C/C=c1\c(=C/CC2=CC3=C(CC2)Cc2ccc(-c4ccc(C#N)cc4)cc23)c2c(n1-c1ccc(-c3ccccc3)cc1)C=CCC2.

What is the InChIKey of 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile?

The InChIKey is DWFWIFWWKCYAER-MBGIGFMSSA-N. The full InChI is InChI=1S/C44H36N2/c1-2-43-40(39-10-6-7-11-44(39)46(43)38-23-21-33(22-24-38)32-8-4-3-5-9-32)25-15-30-12-18-36-27-37-20-19-35(28-42(37)41(36)26-30)34-16-13-31(29-45)14-17-34/h2-5,7-9,11,13-14,16-17,19-26,28H,6,10,12,15,18,27H2,1H3/b40-25-,43-2+.

What are the key properties of 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile?

4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile has a molecular weight of 592.79 g/mol, XLogP of 9.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile is sourced from PubChem (CID 135233648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).