N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine

C76H50N2S — CID 130463477

About N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine

N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine (PubChem CID 130463477) has the molecular formula C76H50N2S and a molecular weight of 1023.32 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine
• PubChem CID: 130463477
• Molecular Formula: C76H50N2S
• Molecular Weight: 1023.32 g/mol
• Exact Mass: 1022.37
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4cc5sc6ccccc6c5cc43)cc21
• InChI: InChI=1S/C76H50N2S/c1-75(2)65-31-15-10-27-56(65)59-40-37-49(43-68(59)75)77(48-38-41-72-63(42-48)54-25-9-8-24-53(54)60-29-13-18-34-71(60)78(72)47-20-4-3-5-21-47)50-36-39-58-52-23-7-6-22-51(52)55-26-11-16-32-66(55)76(69(58)44-50)67-33-17-12-28-57(67)62-46-74-64(45-70(62)76)61-30-14-19-35-73(61)79-74/h3-46H,1-2H3
• InChIKey: KIESERMMEWWQMT-UHFFFAOYSA-N
• XLogP: 20.96
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.32
LogP ≤ 5	20.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine (CID 130463477) is N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4cc5sc6ccccc6c5cc43)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

The InChIKey is KIESERMMEWWQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N2S/c1-75(2)65-31-15-10-27-56(65)59-40-37-49(43-68(59)75)77(48-38-41-72-63(42-48)54-25-9-8-24-53(54)60-29-13-18-34-71(60)78(72)47-20-4-3-5-21-47)50-36-39-58-52-23-7-6-22-51(52)55-26-11-16-32-66(55)76(69(58)44-50)67-33-17-12-28-57(67)62-46-74-64(45-70(62)76)61-30-14-19-35-73(61)79-74/h3-46H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine has a molecular weight of 1023.32 g/mol, XLogP of 20.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-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),2,4,6,8(13),9,11,15,17-nonaen-10-amine is sourced from PubChem (CID 130463477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).