N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine

C74H48N2 — CID 135181409

About N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine

N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 135181409) has the molecular formula C74H48N2 and a molecular weight of 965.21 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 135181409
• Molecular Formula: C74H48N2
• Molecular Weight: 965.21 g/mol
• Exact Mass: 964.38
• IUPAC Name: N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine
• SMILES: C=C/C=C\C=C(\c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-n2c3ccccc3c3cccc1c32)N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
• InChI: InChI=1S/C74H48N2/c1-2-3-5-35-69(50-40-44-57-55-25-11-16-32-64(55)74(67(57)46-50)65-33-17-19-37-71(65)76-70-36-18-12-27-59(70)60-28-20-34-66(74)72(60)76)75(51-41-38-49(39-42-51)48-21-6-4-7-22-48)52-43-45-58-56-26-10-15-31-63(56)73(68(58)47-52)61-29-13-8-23-53(61)54-24-9-14-30-62(54)73/h2-47H,1H2/b5-3-,69-35-
• InChIKey: KYDKWDUAXJOYLY-AHWPWAHWSA-N
• XLogP: 18.39
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.21
LogP ≤ 5	18.39
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-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine (CID 135181409) is N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine is C=C/C=C\C=C(\c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-n2c3ccccc3c3cccc1c32)N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.

What is the InChIKey of N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is KYDKWDUAXJOYLY-AHWPWAHWSA-N. The full InChI is InChI=1S/C74H48N2/c1-2-3-5-35-69(50-40-44-57-55-25-11-16-32-64(55)74(67(57)46-50)65-33-17-19-37-71(65)76-70-36-18-12-27-59(70)60-28-20-34-66(74)72(60)76)75(51-41-38-49(39-42-51)48-21-6-4-7-22-48)52-43-45-58-56-26-10-15-31-63(56)73(68(58)47-52)61-29-13-8-23-53(61)54-24-9-14-30-62(54)73/h2-47H,1H2/b5-3-,69-35-.

What are the key properties of N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine?

N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 965.21 g/mol, XLogP of 18.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylphenyl)-N-[(1Z,3Z)-1-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylhexa-1,3,5-trienyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 135181409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).