N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine

C70H47N — CID 143535686

About N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine

N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine (PubChem CID 143535686) has the molecular formula C70H47N and a molecular weight of 902.15 g/mol. Its IUPAC name is N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine.

Molecular Properties

• Compound Name: N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine
• PubChem CID: 143535686
• Molecular Formula: C70H47N
• Molecular Weight: 902.15 g/mol
• Exact Mass: 901.37
• IUPAC Name: N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine
• SMILES: C=C/C(c1c2ccccc2c(N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccc12)=c1/ccccc1=C
• InChI: InChI=1S/C70H47N/c1-3-57(58-26-12-7-19-46(58)2)69-61-29-15-17-31-64(61)70(65-32-18-16-30-62(65)69)71(55-24-5-4-6-25-55)56-40-37-49(38-41-56)52-39-42-63-66(45-52)68(54-36-34-48-21-9-11-23-51(48)44-54)60-28-14-13-27-59(60)67(63)53-35-33-47-20-8-10-22-50(47)43-53/h3-45H,1-2H2/b58-57+
• InChIKey: NYLDHVBQMRIJSU-UPRQXYPZSA-N
• XLogP: 17.87
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.15
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine?

The IUPAC name of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine (CID 143535686) is N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine.

What is the SMILES notation for N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine?

The canonical SMILES for N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine is C=C/C(c1c2ccccc2c(N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccc12)=c1/ccccc1=C.

What is the InChIKey of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine?

The InChIKey is NYLDHVBQMRIJSU-UPRQXYPZSA-N. The full InChI is InChI=1S/C70H47N/c1-3-57(58-26-12-7-19-46(58)2)69-61-29-15-17-31-64(61)70(65-32-18-16-30-62(65)69)71(55-24-5-4-6-25-55)56-40-37-49(38-41-56)52-39-42-63-66(45-52)68(54-36-34-48-21-9-11-23-51(48)44-54)60-28-14-13-27-59(60)67(63)53-35-33-47-20-8-10-22-50(47)43-53/h3-45H,1-2H2/b58-57+.

What are the key properties of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine?

N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine has a molecular weight of 902.15 g/mol, XLogP of 17.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine is sourced from PubChem (CID 143535686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).