N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine

C114H74N4O4 — CID 158363283

About N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine

N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine (PubChem CID 158363283) has the molecular formula C114H74N4O4 and a molecular weight of 1563.87 g/mol. Its IUPAC name is N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine.

Molecular Properties

• Compound Name: N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
• PubChem CID: 158363283
• Molecular Formula: C114H74N4O4
• Molecular Weight: 1563.87 g/mol
• Exact Mass: 1562.57
• IUPAC Name: N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c7c5Oc5ccccc5N7c5ccccc5O6)c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c7c5Oc5ccccc5N7c5ccccc5O6)c4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1
• InChI: InChI=1S/C58H38N2O2.C56H36N2O2/c1-2-11-39(12-3-1)41-23-29-48(30-24-41)59(50-33-27-43(28-34-50)46-22-21-40-13-4-5-14-44(40)37-46)49-31-25-42(26-32-49)45-15-10-16-47(38-45)51-35-36-56-57-58(51)62-55-20-9-7-18-53(55)60(57)52-17-6-8-19-54(52)61-56;1-2-11-37(12-3-1)38-23-27-44(28-24-38)57(46-31-32-48-43(36-46)22-21-40-13-4-5-16-47(40)48)45-29-25-39(26-30-45)41-14-10-15-42(35-41)49-33-34-54-55-56(49)60-53-20-9-7-18-51(53)58(55)50-17-6-8-19-52(50)59-54/h1-38H;1-36H
• InChIKey: GTSNILKLVLXFJB-UHFFFAOYSA-N
• XLogP: 32.80
• TPSA: 49.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1563.87
LogP ≤ 5	32.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine?

The IUPAC name of N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine (CID 158363283) is N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine.

What is the SMILES notation for N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine?

The canonical SMILES for N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c7c5Oc5ccccc5N7c5ccccc5O6)c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c7c5Oc5ccccc5N7c5ccccc5O6)c4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.

What is the InChIKey of N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine?

The InChIKey is GTSNILKLVLXFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O2.C56H36N2O2/c1-2-11-39(12-3-1)41-23-29-48(30-24-41)59(50-33-27-43(28-34-50)46-22-21-40-13-4-5-14-44(40)37-46)49-31-25-42(26-32-49)45-15-10-16-47(38-45)51-35-36-56-57-58(51)62-55-20-9-7-18-53(55)60(57)52-17-6-8-19-54(52)61-56;1-2-11-37(12-3-1)38-23-27-44(28-24-38)57(46-31-32-48-43(36-46)22-21-40-13-4-5-16-47(40)48)45-29-25-39(26-30-45)41-14-10-15-42(35-41)49-33-34-54-55-56(49)60-53-20-9-7-18-51(53)58(55)50-17-6-8-19-52(50)59-54/h1-38H;1-36H.

What are the key properties of N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine?

N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine has a molecular weight of 1563.87 g/mol, XLogP of 32.80, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 158363283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).