14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene

C90H66N2 — CID 139540929

About 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene

14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene (PubChem CID 139540929) has the molecular formula C90H66N2 and a molecular weight of 1175.53 g/mol. Its IUPAC name is 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene
• PubChem CID: 139540929
• Molecular Formula: C90H66N2
• Molecular Weight: 1175.53 g/mol
• Exact Mass: 1174.52
• IUPAC Name: 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(N3c4cc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(c4)N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(c(c4)C4(C)c6ccccc6-c6ccc3cc64)-c3ccccc3C5(C)C)cc21
• InChI: InChI=1S/C90H66N2/c1-86(2)72-32-15-8-23-61(72)67-42-39-54(48-79(67)86)91-56-41-44-69-63-25-10-18-35-75(63)89(7,81(69)50-56)83-52-59(51-82-84(83)71-29-14-17-34-74(71)88(82,5)6)92(55-40-43-68-62-24-9-16-33-73(62)87(3,4)80(68)49-55)58-46-53(45-57(91)47-58)60-30-22-31-70-66-28-13-21-38-78(66)90(85(60)70)76-36-19-11-26-64(76)65-27-12-20-37-77(65)90/h8-52H,1-7H3
• InChIKey: MPAVIZIGRSZNQJ-UHFFFAOYSA-N
• XLogP: 23.20
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1175.53
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene?

The IUPAC name of 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene (CID 139540929) is 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene.

What is the SMILES notation for 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene?

The canonical SMILES for 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene is CC1(C)c2ccccc2-c2ccc(N3c4cc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(c4)N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(c(c4)C4(C)c6ccccc6-c6ccc3cc64)-c3ccccc3C5(C)C)cc21.

What is the InChIKey of 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene?

The InChIKey is MPAVIZIGRSZNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H66N2/c1-86(2)72-32-15-8-23-61(72)67-42-39-54(48-79(67)86)91-56-41-44-69-63-25-10-18-35-75(63)89(7,81(69)50-56)83-52-59(51-82-84(83)71-29-14-17-34-74(71)88(82,5)6)92(55-40-43-68-62-24-9-16-33-73(62)87(3,4)80(68)49-55)58-46-53(45-57(91)47-58)60-30-22-31-70-66-28-13-21-38-78(66)90(85(60)70)76-36-19-11-26-64(76)65-27-12-20-37-77(65)90/h8-52H,1-7H3.

What are the key properties of 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene?

14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene has a molecular weight of 1175.53 g/mol, XLogP of 23.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14,20-bis(9,9-dimethylfluoren-2-yl)-1,10,10-trimethyl-17-(9,9'-spirobi[fluorene]-1-yl)-14,20-diazaoctacyclo[19.9.2.12,13.115,19.03,11.04,9.024,31.025,30]tetratriaconta-2(34),3(11),4,6,8,12,15,17,19(33),21(32),22,24(31),25,27,29-pentadecaene is sourced from PubChem (CID 139540929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).