4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile

C41H24N4 — CID 118398019

About 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile

4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile (PubChem CID 118398019) has the molecular formula C41H24N4 and a molecular weight of 572.67 g/mol. Its IUPAC name is 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
• PubChem CID: 118398019
• Molecular Formula: C41H24N4
• Molecular Weight: 572.67 g/mol
• Exact Mass: 572.20
• IUPAC Name: 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
• SMILES: N#Cc1cc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccnc(C#N)c4)c4ccccc4c2-3)ccn1
• InChI: InChI=1S/C41H24N4/c42-25-32-21-28(17-19-44-32)27-15-16-36-38(23-27)41(30-9-3-1-4-10-30,31-11-5-2-6-12-31)39-24-37(29-18-20-45-33(22-29)26-43)34-13-7-8-14-35(34)40(36)39/h1-24H
• InChIKey: LXPPFFYWQPYOBX-UHFFFAOYSA-N
• XLogP: 9.07
• TPSA: 73.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.67
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile?

The IUPAC name of 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile (CID 118398019) is 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile?

The canonical SMILES for 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile is N#Cc1cc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccnc(C#N)c4)c4ccccc4c2-3)ccn1.

What is the InChIKey of 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile?

The InChIKey is LXPPFFYWQPYOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4/c42-25-32-21-28(17-19-44-32)27-15-16-36-38(23-27)41(30-9-3-1-4-10-30,31-11-5-2-6-12-31)39-24-37(29-18-20-45-33(22-29)26-43)34-13-7-8-14-35(34)40(36)39/h1-24H.

What are the key properties of 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile?

4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile has a molecular weight of 572.67 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118398019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).