N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine

C70H46N2 — CID 135168284

About N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine

N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine (PubChem CID 135168284) has the molecular formula C70H46N2 and a molecular weight of 915.15 g/mol. Its IUPAC name is N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine
• PubChem CID: 135168284
• Molecular Formula: C70H46N2
• Molecular Weight: 915.15 g/mol
• Exact Mass: 914.37
• IUPAC Name: N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine
• SMILES: C1=CC2c3c(N(c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)c4cc5ccccc5c5ccccc45)cccc3C(c3ccccc3)(c3ccccc3)C2C=C1
• InChI: InChI=1S/C70H46N2/c1-3-23-46(24-4-1)69(47-25-5-2-6-26-47)55-34-14-11-31-53(55)66-58(69)37-20-42-63(66)71(65-44-45-22-7-8-27-48(45)49-28-9-10-29-50(49)65)64-43-21-38-59-67(64)54-32-12-15-35-56(54)70(59)57-36-16-18-41-62(57)72-61-40-17-13-30-51(61)52-33-19-39-60(70)68(52)72/h1-44,53,55H
• InChIKey: VTUHQCFJNTZXAR-UHFFFAOYSA-N
• XLogP: 17.41
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.15
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine?

The IUPAC name of N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine (CID 135168284) is N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine.

What is the SMILES notation for N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine?

The canonical SMILES for N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine is C1=CC2c3c(N(c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)c4cc5ccccc5c5ccccc45)cccc3C(c3ccccc3)(c3ccccc3)C2C=C1.

What is the InChIKey of N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine?

The InChIKey is VTUHQCFJNTZXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2/c1-3-23-46(24-4-1)69(47-25-5-2-6-26-47)55-34-14-11-31-53(55)66-58(69)37-20-42-63(66)71(65-44-45-22-7-8-27-48(45)49-28-9-10-29-50(49)65)64-43-21-38-59-67(64)54-32-12-15-35-56(54)70(59)57-36-16-18-41-62(57)72-61-40-17-13-30-51(61)52-33-19-39-60(70)68(52)72/h1-44,53,55H.

What are the key properties of N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine?

N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine has a molecular weight of 915.15 g/mol, XLogP of 17.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[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]-4'-amine is sourced from PubChem (CID 135168284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).