5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine

C195H168N12O6 — CID 159057181

About 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine

5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine (PubChem CID 159057181) has the molecular formula C195H168N12O6 and a molecular weight of 2775.57 g/mol. Its IUPAC name is 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine.

Molecular Properties

• Compound Name: 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
• PubChem CID: 159057181
• Molecular Formula: C195H168N12O6
• Molecular Weight: 2775.57 g/mol
• Exact Mass: 2773.32
• IUPAC Name: 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
• SMILES: CC(C)(C)c1nc2c(N(c3ccccc3)c3ccccc3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccccc2)c2nc(C(C)(C)C)oc12)C31c2ccccc2-c2ccccc21.CC(C)(C)c1nc2c(N(c3ccccc3)c3ccccc3-c3ccccc3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccccc2-c2ccccc2)c2nc(C(C)(C)C)oc12)C3(c1ccccc1)c1ccccc1.Cc1ccc(N(c2c(C)cccc2C)c2cc3c(c4oc(C(C)(C)C)nc24)-c2c(cc(N(c4ccc(C)cc4)c4c(C)cccc4C)c4nc(C(C)(C)C)oc24)C3(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C71H58N4O2.C65H62N4O2.C59H48N4O2/c1-69(2,3)67-72-63-59(74(51-37-21-11-22-38-51)57-43-27-25-41-53(57)47-29-13-7-14-30-47)45-55-61(65(63)76-67)62-56(71(55,49-33-17-9-18-34-49)50-35-19-10-20-36-50)46-60(64-66(62)77-68(73-64)70(4,5)6)75(52-39-23-12-24-40-52)58-44-28-26-42-54(58)48-31-15-8-16-32-48;1-39-29-33-47(34-30-39)68(57-41(3)21-19-22-42(57)4)51-37-49-53(59-55(51)66-61(70-59)63(7,8)9)54-50(65(49,45-25-15-13-16-26-45)46-27-17-14-18-28-46)38-52(56-60(54)71-62(67-56)64(10,11)12)69(48-35-31-40(2)32-36-48)58-43(5)23-20-24-44(58)6;1-57(2,3)55-60-51-47(62(37-23-11-7-12-24-37)38-25-13-8-14-26-38)35-45-49(53(51)64-55)50-46(59(45)43-33-21-19-31-41(43)42-32-20-22-34-44(42)59)36-48(52-54(50)65-56(61-52)58(4,5)6)63(39-27-15-9-16-28-39)40-29-17-10-18-30-40/h7-46H,1-6H3;13-38H,1-12H3;7-36H,1-6H3
• InChIKey: JXZSNNIRBAENKG-UHFFFAOYSA-N
• XLogP: 52.77
• TPSA: 175.62 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2775.57
LogP ≤ 5	52.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?

The IUPAC name of 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine (CID 159057181) is 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine.

What is the SMILES notation for 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?

The canonical SMILES for 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine is CC(C)(C)c1nc2c(N(c3ccccc3)c3ccccc3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccccc2)c2nc(C(C)(C)C)oc12)C31c2ccccc2-c2ccccc21.CC(C)(C)c1nc2c(N(c3ccccc3)c3ccccc3-c3ccccc3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccccc2-c2ccccc2)c2nc(C(C)(C)C)oc12)C3(c1ccccc1)c1ccccc1.Cc1ccc(N(c2c(C)cccc2C)c2cc3c(c4oc(C(C)(C)C)nc24)-c2c(cc(N(c4ccc(C)cc4)c4c(C)cccc4C)c4nc(C(C)(C)C)oc24)C3(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?

The InChIKey is JXZSNNIRBAENKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H58N4O2.C65H62N4O2.C59H48N4O2/c1-69(2,3)67-72-63-59(74(51-37-21-11-22-38-51)57-43-27-25-41-53(57)47-29-13-7-14-30-47)45-55-61(65(63)76-67)62-56(71(55,49-33-17-9-18-34-49)50-35-19-10-20-36-50)46-60(64-66(62)77-68(73-64)70(4,5)6)75(52-39-23-12-24-40-52)58-44-28-26-42-54(58)48-31-15-8-16-32-48;1-39-29-33-47(34-30-39)68(57-41(3)21-19-22-42(57)4)51-37-49-53(59-55(51)66-61(70-59)63(7,8)9)54-50(65(49,45-25-15-13-16-26-45)46-27-17-14-18-28-46)38-52(56-60(54)71-62(67-56)64(10,11)12)69(48-35-31-40(2)32-36-48)58-43(5)23-20-24-44(58)6;1-57(2,3)55-60-51-47(62(37-23-11-7-12-24-37)38-25-13-8-14-26-38)35-45-49(53(51)64-55)50-46(59(45)43-33-21-19-31-41(43)42-32-20-22-34-44(42)59)36-48(52-54(50)65-56(61-52)58(4,5)6)63(39-27-15-9-16-28-39)40-29-17-10-18-30-40/h7-46H,1-6H3;13-38H,1-12H3;7-36H,1-6H3.

What are the key properties of 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?

5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine has a molecular weight of 2775.57 g/mol, XLogP of 52.77, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine is sourced from PubChem (CID 159057181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).