12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene]

C145H88N6 — CID 157162990

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene]

12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene] (PubChem CID 157162990) has the molecular formula C145H88N6 and a molecular weight of 1914.34 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene].

Molecular Properties

• Compound Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene]
• PubChem CID: 157162990
• Molecular Formula: C145H88N6
• Molecular Weight: 1914.34 g/mol
• Exact Mass: 1912.71
• IUPAC Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene]
• SMILES: c1ccc(-c2ccc(N3c4ccccc4-c4cccc5c4-c4c3cccc4C53c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-c4cccc5c4-c4c3cccc4C53c4ccccc4-c4ccccc43)n2)cc1.c1ccc2c(c1)-c1cccc3c1-c1c(cccc1C31c3ccccc3-c3ccccc31)N2c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
• InChI: InChI=1S/C56H33N.C46H28N4.C43H27N/c1-7-22-43-35(15-1)36-16-2-8-23-44(36)55(43)45-24-9-5-19-39(45)40-32-31-34(33-50(40)55)57-51-29-12-6-20-41(51)42-21-13-27-48-53(42)54-49(28-14-30-52(54)57)56(48)46-25-10-3-17-37(46)38-18-4-11-26-47(38)56;1-3-15-29(16-4-1)43-47-44(30-17-5-2-6-18-30)49-45(48-43)50-39-27-12-9-21-33(39)34-22-13-25-37-41(34)42-38(26-14-28-40(42)50)46(37)35-23-10-7-19-31(35)32-20-8-11-24-36(32)46;1-2-12-28(13-3-1)29-24-26-30(27-25-29)44-39-22-9-6-16-33(39)34-17-10-20-37-41(34)42-38(21-11-23-40(42)44)43(37)35-18-7-4-14-31(35)32-15-5-8-19-36(32)43/h1-33H;1-28H;1-27H
• InChIKey: AMOURUJTFBJBNQ-UHFFFAOYSA-N
• XLogP: 35.97
• TPSA: 48.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1914.34
LogP ≤ 5	35.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene]?

The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene] (CID 157162990) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene].

What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene]?

The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene] is c1ccc(-c2ccc(N3c4ccccc4-c4cccc5c4-c4c3cccc4C53c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-c4cccc5c4-c4c3cccc4C53c4ccccc4-c4ccccc43)n2)cc1.c1ccc2c(c1)-c1cccc3c1-c1c(cccc1C31c3ccccc3-c3ccccc31)N2c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.

What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene]?

The InChIKey is AMOURUJTFBJBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N.C46H28N4.C43H27N/c1-7-22-43-35(15-1)36-16-2-8-23-44(36)55(43)45-24-9-5-19-39(45)40-32-31-34(33-50(40)55)57-51-29-12-6-20-41(51)42-21-13-27-48-53(42)54-49(28-14-30-52(54)57)56(48)46-25-10-3-17-37(46)38-18-4-11-26-47(38)56;1-3-15-29(16-4-1)43-47-44(30-17-5-2-6-18-30)49-45(48-43)50-39-27-12-9-21-33(39)34-22-13-25-37-41(34)42-38(26-14-28-40(42)50)46(37)35-23-10-7-19-31(35)32-20-8-11-24-36(32)46;1-2-12-28(13-3-1)29-24-26-30(27-25-29)44-39-22-9-6-16-33(39)34-17-10-20-37-41(34)42-38(21-11-23-40(42)44)43(37)35-18-7-4-14-31(35)32-15-5-8-19-36(32)43/h1-33H;1-28H;1-27H.

What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene]?

12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene] has a molecular weight of 1914.34 g/mol, XLogP of 35.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(4-phenylphenyl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene];12-(9,9'-spirobi[fluorene]-2-yl)spiro[12-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene-20,9'-fluorene] is sourced from PubChem (CID 157162990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).