N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline

C59H42N2 — CID 144521050

About N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline

N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline (PubChem CID 144521050) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline.

Molecular Properties

• Compound Name: N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline
• PubChem CID: 144521050
• Molecular Formula: C59H42N2
• Molecular Weight: 779.00 g/mol
• Exact Mass: 778.33
• IUPAC Name: N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline
• SMILES: C=C/C=C(\C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C59H42N2/c1-3-11-40(2)41-26-32-50(33-27-41)60(51-34-28-46(29-35-51)42-12-5-4-6-13-42)52-36-30-47(31-37-52)45-20-18-43(19-21-45)44-22-24-48(25-23-44)49-38-55-53-14-7-9-16-57(53)61-58-17-10-8-15-54(58)56(39-49)59(55)61/h3-39H,1H2,2H3/b40-11+
• InChIKey: QIWASJLBQSOFKX-UGWVNTRHSA-N
• XLogP: 16.56
• TPSA: 7.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.00
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline?

The IUPAC name of N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline (CID 144521050) is N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline.

What is the SMILES notation for N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline?

The canonical SMILES for N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline is C=C/C=C(\C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline?

The InChIKey is QIWASJLBQSOFKX-UGWVNTRHSA-N. The full InChI is InChI=1S/C59H42N2/c1-3-11-40(2)41-26-32-50(33-27-41)60(51-34-28-46(29-35-51)42-12-5-4-6-13-42)52-36-30-47(31-37-52)45-20-18-43(19-21-45)44-22-24-48(25-23-44)49-38-55-53-14-7-9-16-57(53)61-58-17-10-8-15-54(58)56(39-49)59(55)61/h3-39H,1H2,2H3/b40-11+.

What are the key properties of N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline?

N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline has a molecular weight of 779.00 g/mol, XLogP of 16.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline is sourced from PubChem (CID 144521050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).