N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide

C53H37N3 — CID 135245314

About N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide

N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide (PubChem CID 135245314) has the molecular formula C53H37N3 and a molecular weight of 715.90 g/mol. Its IUPAC name is N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide.

Molecular Properties

• Compound Name: N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide
• PubChem CID: 135245314
• Molecular Formula: C53H37N3
• Molecular Weight: 715.90 g/mol
• Exact Mass: 715.30
• IUPAC Name: N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide
• SMILES: [H]/N=C(/N=C(\N)c1ccc2ccccc2c1-c1ccc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4c3ccc3ccccc43)cc2)cc1)c1ccccc1
• InChI: InChI=1S/C53H37N3/c54-51(40-15-3-1-4-16-40)56-52(55)46-33-29-37-13-7-9-19-43(37)49(46)39-25-23-35(24-26-39)36-27-31-42(32-28-36)53(41-17-5-2-6-18-41)47-22-12-11-21-45(47)50-44-20-10-8-14-38(44)30-34-48(50)53/h1-34H,(H3,54,55,56)
• InChIKey: XWAJJKBKCPZJMM-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 62.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.90
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide?

The IUPAC name of N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide (CID 135245314) is N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide.

What is the SMILES notation for N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide?

The canonical SMILES for N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide is [H]/N=C(/N=C(\N)c1ccc2ccccc2c1-c1ccc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4c3ccc3ccccc43)cc2)cc1)c1ccccc1.

What is the InChIKey of N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide?

The InChIKey is XWAJJKBKCPZJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3/c54-51(40-15-3-1-4-16-40)56-52(55)46-33-29-37-13-7-9-19-43(37)49(46)39-25-23-35(24-26-39)36-27-31-42(32-28-36)53(41-17-5-2-6-18-41)47-22-12-11-21-45(47)50-44-20-10-8-14-38(44)30-34-48(50)53/h1-34H,(H3,54,55,56).

What are the key properties of N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide?

N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide has a molecular weight of 715.90 g/mol, XLogP of 12.42, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(benzenecarboximidoyl)-1-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 135245314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).