9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine

C68H45N — CID 58963549

About 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine

9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine (PubChem CID 58963549) has the molecular formula C68H45N and a molecular weight of 876.12 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine.

Molecular Properties

• Compound Name: 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine
• PubChem CID: 58963549
• Molecular Formula: C68H45N
• Molecular Weight: 876.12 g/mol
• Exact Mass: 875.36
• IUPAC Name: 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine
• SMILES: C(=C/c1ccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1)\c1ccccc1
• InChI: InChI=1S/C68H45N/c1-3-17-46(18-4-1)31-32-47-33-35-50(36-34-47)65-59-27-13-15-29-62(59)68(63-30-16-14-28-60(63)65)69(55-23-5-2-6-24-55)56-41-42-61-64(45-56)67(54-40-38-49-20-8-10-22-52(49)44-54)58-26-12-11-25-57(58)66(61)53-39-37-48-19-7-9-21-51(48)43-53/h1-45H/b32-31+
• InChIKey: ATRIPRHQNFCYGD-QNEJGDQOSA-N
• XLogP: 19.25
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.12
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine?

The IUPAC name of 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine (CID 58963549) is 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine.

What is the SMILES notation for 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine?

The canonical SMILES for 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine is C(=C/c1ccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1)\c1ccccc1.

What is the InChIKey of 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine?

The InChIKey is ATRIPRHQNFCYGD-QNEJGDQOSA-N. The full InChI is InChI=1S/C68H45N/c1-3-17-46(18-4-1)31-32-47-33-35-50(36-34-47)65-59-27-13-15-29-62(59)68(63-30-16-14-28-60(63)65)69(55-23-5-2-6-24-55)56-41-42-61-64(45-56)67(54-40-38-49-20-8-10-22-52(49)44-54)58-26-12-11-25-57(58)66(61)53-39-37-48-19-7-9-21-51(48)43-53/h1-45H/b32-31+.

What are the key properties of 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine?

9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine has a molecular weight of 876.12 g/mol, XLogP of 19.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine is sourced from PubChem (CID 58963549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).