N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine

C69H41N — CID 167411134

About N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine

N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine (PubChem CID 167411134) has the molecular formula C69H41N and a molecular weight of 884.09 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
• PubChem CID: 167411134
• Molecular Formula: C69H41N
• Molecular Weight: 884.09 g/mol
• Exact Mass: 883.32
• IUPAC Name: N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4cccc5c6cccc7ccc8cccc(c9cccc3c9c45)c8c76)cc21
• InChI: InChI=1S/C69H41N/c1-2-14-46-39-47(32-29-42(46)13-1)43-33-35-49(36-34-43)70(50-37-38-54-53-20-5-8-28-62(53)69(63(54)41-50)60-26-6-3-18-51(60)52-19-4-7-27-61(52)69)64-40-48-17-11-23-56-55-21-9-15-44-30-31-45-16-10-22-57(66(45)65(44)55)58-24-12-25-59(64)68(58)67(48)56/h1-41H/b56-55-,58-57-
• InChIKey: ZWQQWDJZWKZGPC-ZJQJRPTNSA-N
• XLogP: 18.68
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.09
LogP ≤ 5	18.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine?

The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine (CID 167411134) is N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine.

What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine?

The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4cccc5c6cccc7ccc8cccc(c9cccc3c9c45)c8c76)cc21.

What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine?

The InChIKey is ZWQQWDJZWKZGPC-ZJQJRPTNSA-N. The full InChI is InChI=1S/C69H41N/c1-2-14-46-39-47(32-29-42(46)13-1)43-33-35-49(36-34-43)70(50-37-38-54-53-20-5-8-28-62(53)69(63(54)41-50)60-26-6-3-18-51(60)52-19-4-7-27-61(52)69)64-40-48-17-11-23-56-55-21-9-15-44-30-31-45-16-10-22-57(66(45)65(44)55)58-24-12-25-59(64)68(58)67(48)56/h1-41H/b56-55-,58-57-.

What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine?

N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine has a molecular weight of 884.09 g/mol, XLogP of 18.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine is sourced from PubChem (CID 167411134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).