14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine

C63H42N2 — CID 130260450

About 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine

14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine (PubChem CID 130260450) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine.

Molecular Properties

• Compound Name: 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
• PubChem CID: 130260450
• Molecular Formula: C63H42N2
• Molecular Weight: 827.04 g/mol
• Exact Mass: 826.33
• IUPAC Name: 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
• SMILES: C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3N(c3ccccc3)c3ccccc3-c3ccccc3-4)cc12
• InChI: InChI=1S/C63H42N2/c1-3-19-43(20-4-1)46-23-17-26-48(41-46)64(61-36-18-31-55-51-28-10-9-27-50(51)54-30-12-16-35-60(54)65(62(55)61)47-24-5-2-6-25-47)49-39-40-53-52-29-11-15-34-58(52)63(59(53)42-49)56-32-13-7-21-44(56)37-38-45-22-8-14-33-57(45)63/h1-42H
• InChIKey: QYEHGWPAKJUYJW-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.04
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine?

The IUPAC name of 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine (CID 130260450) is 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine.

What is the SMILES notation for 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine?

The canonical SMILES for 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine is C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3N(c3ccccc3)c3ccccc3-c3ccccc3-4)cc12.

What is the InChIKey of 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine?

The InChIKey is QYEHGWPAKJUYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-3-19-43(20-4-1)46-23-17-26-48(41-46)64(61-36-18-31-55-51-28-10-9-27-50(51)54-30-12-16-35-60(54)65(62(55)61)47-24-5-2-6-25-47)49-39-40-53-52-29-11-15-34-58(52)63(59(53)42-49)56-32-13-7-21-44(56)37-38-45-22-8-14-33-57(45)63/h1-42H.

What are the key properties of 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine?

14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine has a molecular weight of 827.04 g/mol, XLogP of 16.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-N-(3-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine is sourced from PubChem (CID 130260450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).