N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine

C69H43NO — CID 130462730

About N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine

N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine (PubChem CID 130462730) has the molecular formula C69H43NO and a molecular weight of 902.11 g/mol. Its IUPAC name is N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine.

Molecular Properties

• Compound Name: N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
• PubChem CID: 130462730
• Molecular Formula: C69H43NO
• Molecular Weight: 902.11 g/mol
• Exact Mass: 901.33
• IUPAC Name: N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccco5)c4)cc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4c3cc3ccc5cccc6ccc4c3c56)cc2)cc1
• InChI: InChI=1S/C69H43NO/c1-2-13-44(14-3-1)45-28-33-52(34-29-45)70(53-35-30-46(31-36-53)49-17-11-18-50(41-49)65-25-12-40-71-65)54-37-39-63-60(43-54)56-20-5-4-19-55(56)57-21-6-8-23-61(57)69(63)62-24-9-7-22-58(62)68-59-38-32-48-16-10-15-47-26-27-51(42-64(68)69)67(59)66(47)48/h1-43H
• InChIKey: BYANPEBFKYMJCV-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.11
LogP ≤ 5	18.66
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-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

The IUPAC name of N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine (CID 130462730) is N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine.

What is the SMILES notation for N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

The canonical SMILES for N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccco5)c4)cc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4c3cc3ccc5cccc6ccc4c3c56)cc2)cc1.

What is the InChIKey of N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

The InChIKey is BYANPEBFKYMJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43NO/c1-2-13-44(14-3-1)45-28-33-52(34-29-45)70(53-35-30-46(31-36-53)49-17-11-18-50(41-49)65-25-12-40-71-65)54-37-39-63-60(43-54)56-20-5-4-19-55(56)57-21-6-8-23-61(57)69(63)62-24-9-7-22-58(62)68-59-38-32-48-16-10-15-47-26-27-51(42-64(68)69)67(59)66(47)48/h1-43H.

What are the key properties of N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine has a molecular weight of 902.11 g/mol, XLogP of 18.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(furan-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine is sourced from PubChem (CID 130462730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).