N-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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

C64H42N2O — CID 153468575

About N-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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 153468575) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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: 153468575
• Molecular Formula: C64H42N2O
• Molecular Weight: 855.05 g/mol
• Exact Mass: 854.33
• IUPAC Name: N-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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(-c2ccc(N(c3ccc(-c4c5ccccc5c(N(c5ccccc5)c5ccccc5)c5ccccc45)cc3)c3cc4ccccc4c4c3oc3ccc5ccccc5c34)cc2)cc1
• InChI: InChI=1S/C64H42N2O/c1-4-18-43(19-5-1)44-32-37-50(38-33-44)65(58-42-47-21-11-13-27-53(47)62-61-52-26-12-10-20-45(52)36-41-59(61)67-64(58)62)51-39-34-46(35-40-51)60-54-28-14-16-30-56(54)63(57-31-17-15-29-55(57)60)66(48-22-6-2-7-23-48)49-24-8-3-9-25-49/h1-42H
• InChIKey: IYSLHWPMKHNUCU-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.05
LogP ≤ 5	18.47
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-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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 153468575) is N-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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(-c2ccc(N(c3ccc(-c4c5ccccc5c(N(c5ccccc5)c5ccccc5)c5ccccc45)cc3)c3cc4ccccc4c4c3oc3ccc5ccccc5c34)cc2)cc1.

What is the InChIKey of N-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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 IYSLHWPMKHNUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-4-18-43(19-5-1)44-32-37-50(38-33-44)65(58-42-47-21-11-13-27-53(47)62-61-52-26-12-10-20-45(52)36-41-59(61)67-64(58)62)51-39-34-46(35-40-51)60-54-28-14-16-30-56(54)63(57-31-17-15-29-55(57)60)66(48-22-6-2-7-23-48)49-24-8-3-9-25-49/h1-42H.

What are the key properties of N-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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 855.05 g/mol, XLogP of 18.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-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 153468575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).