N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine

C70H42N2 — CID 135168193

About N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine

N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine (PubChem CID 135168193) has the molecular formula C70H42N2 and a molecular weight of 911.12 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine.

Molecular Properties

• Compound Name: N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine
• PubChem CID: 135168193
• Molecular Formula: C70H42N2
• Molecular Weight: 911.12 g/mol
• Exact Mass: 910.33
• IUPAC Name: N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3cc4ccccc4c4ccccc34)cccc21
• InChI: InChI=1S/C70H42N2/c1-2-21-44-43(20-1)42-65(48-25-4-3-22-45(44)48)71(63-40-18-35-58-66(63)51-27-7-12-32-55(51)69(58)53-30-10-5-23-46(53)47-24-6-11-31-54(47)69)64-41-19-36-59-67(64)52-28-8-13-33-56(52)70(59)57-34-14-16-39-62(57)72-61-38-15-9-26-49(61)50-29-17-37-60(70)68(50)72/h1-42H
• InChIKey: HOMCROMNCFGJTG-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.12
LogP ≤ 5	17.58
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-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine?

The IUPAC name of N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine (CID 135168193) is N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine.

What is the SMILES notation for N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine?

The canonical SMILES for N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3cc4ccccc4c4ccccc34)cccc21.

What is the InChIKey of N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine?

The InChIKey is HOMCROMNCFGJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N2/c1-2-21-44-43(20-1)42-65(48-25-4-3-22-45(44)48)71(63-40-18-35-58-66(63)51-27-7-12-32-55(51)69(58)53-30-10-5-23-46(53)47-24-6-11-31-54(47)69)64-41-19-36-59-67(64)52-28-8-13-33-56(52)70(59)57-34-14-16-39-62(57)72-61-38-15-9-26-49(61)50-29-17-37-60(70)68(50)72/h1-42H.

What are the key properties of N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine?

N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine has a molecular weight of 911.12 g/mol, XLogP of 17.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine is sourced from PubChem (CID 135168193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).