7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine

C43H26N2 — CID 155601786

About 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine

7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine (PubChem CID 155601786) has the molecular formula C43H26N2 and a molecular weight of 570.70 g/mol. Its IUPAC name is 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine.

Molecular Properties

• Compound Name: 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine
• PubChem CID: 155601786
• Molecular Formula: C43H26N2
• Molecular Weight: 570.70 g/mol
• Exact Mass: 570.21
• IUPAC Name: 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine
• SMILES: [C-]#[N+]c1ccc2c(c1)-c1ccccc1C2c1cccc(-c2ccc(-c3c4ccccc4nc4c3ccc3ccccc34)cc2)c1
• InChI: InChI=1S/C43H26N2/c1-44-32-22-24-36-39(26-32)34-13-4-5-14-35(34)42(36)31-11-8-10-30(25-31)27-17-19-29(20-18-27)41-37-15-6-7-16-40(37)45-43-33-12-3-2-9-28(33)21-23-38(41)43/h2-26,42H
• InChIKey: QDWHJAXBYVGFOQ-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 17.25 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.70
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine?

The IUPAC name of 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine (CID 155601786) is 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine.

What is the SMILES notation for 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine?

The canonical SMILES for 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine is [C-]#[N+]c1ccc2c(c1)-c1ccccc1C2c1cccc(-c2ccc(-c3c4ccccc4nc4c3ccc3ccccc34)cc2)c1.

What is the InChIKey of 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine?

The InChIKey is QDWHJAXBYVGFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2/c1-44-32-22-24-36-39(26-32)34-13-4-5-14-35(34)42(36)31-11-8-10-30(25-31)27-17-19-29(20-18-27)41-37-15-6-7-16-40(37)45-43-33-12-3-2-9-28(33)21-23-38(41)43/h2-26,42H.

What are the key properties of 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine?

7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine has a molecular weight of 570.70 g/mol, XLogP of 11.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine is sourced from PubChem (CID 155601786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).