N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine

C70H46N2 — CID 59282241

About N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine

N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine (PubChem CID 59282241) has the molecular formula C70H46N2 and a molecular weight of 915.15 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine
• PubChem CID: 59282241
• Molecular Formula: C70H46N2
• Molecular Weight: 915.15 g/mol
• Exact Mass: 914.37
• IUPAC Name: N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine
• SMILES: c1ccc2cc(N(c3ccc(-c4cc5cc(-c6ccc(N(c7ccc8ccccc8c7)c7cccc8ccccc78)cc6)c6ccccc6c5c5ccccc45)cc3)c3cccc4ccccc34)ccc2c1
• InChI: InChI=1S/C70H46N2/c1-3-19-53-43-58(41-31-47(53)15-1)71(68-29-13-21-49-17-5-7-23-60(49)68)56-37-33-51(34-38-56)66-45-55-46-67(63-26-10-12-28-65(63)70(55)64-27-11-9-25-62(64)66)52-35-39-57(40-36-52)72(59-42-32-48-16-2-4-20-54(48)44-59)69-30-14-22-50-18-6-8-24-61(50)69/h1-46H
• InChIKey: LCLALKLYBJCRHE-UHFFFAOYSA-N
• XLogP: 20.03
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.15
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine?

The IUPAC name of N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine (CID 59282241) is N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine.

What is the SMILES notation for N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine?

The canonical SMILES for N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine is c1ccc2cc(N(c3ccc(-c4cc5cc(-c6ccc(N(c7ccc8ccccc8c7)c7cccc8ccccc78)cc6)c6ccccc6c5c5ccccc45)cc3)c3cccc4ccccc34)ccc2c1.

What is the InChIKey of N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine?

The InChIKey is LCLALKLYBJCRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2/c1-3-19-53-43-58(41-31-47(53)15-1)71(68-29-13-21-49-17-5-7-23-60(49)68)56-37-33-51(34-38-56)66-45-55-46-67(63-26-10-12-28-65(63)70(55)64-27-11-9-25-62(64)66)52-35-39-57(40-36-52)72(59-42-32-48-16-2-4-20-54(48)44-59)69-30-14-22-50-18-6-8-24-61(50)69/h1-46H.

What are the key properties of N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine?

N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine has a molecular weight of 915.15 g/mol, XLogP of 20.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 59282241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).