N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine

C66H42N2O — CID 153468536

About N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine

N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine (PubChem CID 153468536) has the molecular formula C66H42N2O and a molecular weight of 879.08 g/mol. Its IUPAC name is N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
• PubChem CID: 153468536
• Molecular Formula: C66H42N2O
• Molecular Weight: 879.08 g/mol
• Exact Mass: 878.33
• IUPAC Name: N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
• SMILES: c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cc5ccccc5c5c4oc4ccc6ccccc6c45)c4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C66H42N2O/c1-4-24-45(25-5-1)67(46-26-6-2-7-27-46)64-54-36-18-14-32-50(54)60(51-33-15-19-37-55(51)64)61-52-34-16-20-38-56(52)65(57-39-21-17-35-53(57)61)68(47-28-8-3-9-29-47)58-42-44-23-11-13-31-49(44)63-62-48-30-12-10-22-43(48)40-41-59(62)69-66(58)63/h1-42H
• InChIKey: DGVLBHNJJRKQKT-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.08
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine?

The IUPAC name of N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine (CID 153468536) is N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine.

What is the SMILES notation for N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine?

The canonical SMILES for N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine is c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cc5ccccc5c5c4oc4ccc6ccccc6c45)c4ccccc34)c3ccccc23)cc1.

What is the InChIKey of N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine?

The InChIKey is DGVLBHNJJRKQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O/c1-4-24-45(25-5-1)67(46-26-6-2-7-27-46)64-54-36-18-14-32-50(54)60(51-33-15-19-37-55(51)64)61-52-34-16-20-38-56(52)65(57-39-21-17-35-53(57)61)68(47-28-8-3-9-29-47)58-42-44-23-11-13-31-49(44)63-62-48-30-12-10-22-43(48)40-41-59(62)69-66(58)63/h1-42H.

What are the key properties of N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine?

N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine has a molecular weight of 879.08 g/mol, XLogP of 19.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine is sourced from PubChem (CID 153468536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).