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

C72H47N — CID 58963382

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

9,10-dinaphthalen-2-yl-N-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine (PubChem CID 58963382) has the molecular formula C72H47N and a molecular weight of 926.18 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-yl-N-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine.

Molecular Properties

• Compound Name: 9,10-dinaphthalen-2-yl-N-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine
• PubChem CID: 58963382
• Molecular Formula: C72H47N
• Molecular Weight: 926.18 g/mol
• Exact Mass: 925.37
• IUPAC Name: 9,10-dinaphthalen-2-yl-N-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine
• SMILES: C(=C/c1ccc(N(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1)\c1ccccc1
• InChI: InChI=1S/C72H47N/c1-2-16-48(17-3-1)30-31-49-32-40-59(41-33-49)73(72-66-28-14-12-26-63(66)70(64-27-13-15-29-67(64)72)57-38-35-51-19-5-8-22-54(51)45-57)60-42-43-65-68(47-60)71(58-39-36-52-20-6-9-23-55(52)46-58)62-25-11-10-24-61(62)69(65)56-37-34-50-18-4-7-21-53(50)44-56/h1-47H/b31-30+
• InChIKey: XFZVEPNODONSSZ-NVQSTNCTSA-N
• XLogP: 20.40
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.18
LogP ≤ 5	20.40
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-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine?

The IUPAC name of 9,10-dinaphthalen-2-yl-N-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine (CID 58963382) is 9,10-dinaphthalen-2-yl-N-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine.

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

The canonical SMILES for 9,10-dinaphthalen-2-yl-N-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine is C(=C/c1ccc(N(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1)\c1ccccc1.

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

The InChIKey is XFZVEPNODONSSZ-NVQSTNCTSA-N. The full InChI is InChI=1S/C72H47N/c1-2-16-48(17-3-1)30-31-49-32-40-59(41-33-49)73(72-66-28-14-12-26-63(66)70(64-27-13-15-29-67(64)72)57-38-35-51-19-5-8-22-54(51)45-57)60-42-43-65-68(47-60)71(58-39-36-52-20-6-9-23-55(52)46-58)62-25-11-10-24-61(62)69(65)56-37-34-50-18-4-7-21-53(50)44-56/h1-47H/b31-30+.

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

9,10-dinaphthalen-2-yl-N-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine has a molecular weight of 926.18 g/mol, XLogP of 20.40, 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-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine is sourced from PubChem (CID 58963382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).