14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine

C73H46N2O — CID 130462767

IUPAC14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3N(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)cc2)cc1
InChIInChI=1S/C73H46N2O/c1-3-19-47(20-4-1)48-35-37-50(38-36-48)74(51-39-41-55-58-26-11-16-32-68(58)75(49-21-5-2-6-22-49)69-33-17-12-27-59(69)63(55)45-51)52-40-42-57-54-24-8-7-23-53(54)56-25-9-14-30-64(56)73(67(57)46-52)65-31-15-10-29-62(65)71-66(73)44-43-61-60-28-13-18-34-70(60)76-72(61)71/h1-46H
InChIKeyCIBRMFGWAFPVTE-UHFFFAOYSA-N
MW967.18 g/mol
LogP19.85
Rot. Bonds5

About 14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine

14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine (PubChem CID 130462767) has the molecular formula C73H46N2O and a molecular weight of 967.18 g/mol. Its IUPAC name is 14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine.

Molecular Properties

Compound Name14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
PubChem CID130462767
Molecular FormulaC73H46N2O
Molecular Weight967.18 g/mol
Exact Mass966.36
IUPAC Name14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3N(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)cc2)cc1
InChIInChI=1S/C73H46N2O/c1-3-19-47(20-4-1)48-35-37-50(38-36-48)74(51-39-41-55-58-26-11-16-32-68(58)75(49-21-5-2-6-22-49)69-33-17-12-27-59(69)63(55)45-51)52-40-42-57-54-24-8-7-23-53(54)56-25-9-14-30-64(56)73(67(57)46-52)65-31-15-10-29-62(65)71-66(73)44-43-61-60-28-13-18-34-70(60)76-72(61)71/h1-46H
InChIKeyCIBRMFGWAFPVTE-UHFFFAOYSA-N
XLogP19.85
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms76
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.18
LogP ≤ 519.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine?
The IUPAC name of 14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine (CID 130462767) is 14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine.
What is the SMILES notation for 14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine?
The canonical SMILES for 14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3N(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)cc2)cc1.
What is the InChIKey of 14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine?
The InChIKey is CIBRMFGWAFPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2O/c1-3-19-47(20-4-1)48-35-37-50(38-36-48)74(51-39-41-55-58-26-11-16-32-68(58)75(49-21-5-2-6-22-49)69-33-17-12-27-59(69)63(55)45-51)52-40-42-57-54-24-8-7-23-53(54)56-25-9-14-30-64(56)73(67(57)46-52)65-31-15-10-29-62(65)71-66(73)44-43-61-60-28-13-18-34-70(60)76-72(61)71/h1-46H.
What are the key properties of 14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine?
14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine has a molecular weight of 967.18 g/mol, XLogP of 19.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine is sourced from PubChem (CID 130462767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).