(10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine

C65H63N3O — CID 166036571

About (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine

(10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine (PubChem CID 166036571) has the molecular formula C65H63N3O and a molecular weight of 902.24 g/mol. Its IUPAC name is (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine.

Molecular Properties

• Compound Name: (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine
• PubChem CID: 166036571
• Molecular Formula: C65H63N3O
• Molecular Weight: 902.24 g/mol
• Exact Mass: 901.50
• IUPAC Name: (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine
• SMILES: C=c1/c(=C\c2cc3cc(C(C)(C)C)cc4c5cc(C(C)(C)C)ccc5n2c34)c2cc(C(C)(C)C)cc3c4ccc(N(c5ccccc5)c5c(C)ccc6c5oc5c(C(C)(C)C)cccc56)cc4n1c23
• InChI: InChI=1S/C65H63N3O/c1-37-23-26-48-47-21-18-22-54(65(12,13)14)60(47)69-61(48)57(37)67(43-19-16-15-17-20-43)44-25-27-46-51-33-42(64(9,10)11)34-52-49(38(2)66(59(51)52)56(46)36-44)35-45-30-39-29-41(63(6,7)8)32-53-50-31-40(62(3,4)5)24-28-55(50)68(45)58(39)53/h15-36H,2H2,1,3-14H3/b49-35+
• InChIKey: PJTJMDRVPOCCKX-BJLVEROPSA-N
• XLogP: 16.79
• TPSA: 25.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.24
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine?

The IUPAC name of (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine (CID 166036571) is (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine.

What is the SMILES notation for (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine?

The canonical SMILES for (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine is C=c1/c(=C\c2cc3cc(C(C)(C)C)cc4c5cc(C(C)(C)C)ccc5n2c34)c2cc(C(C)(C)C)cc3c4ccc(N(c5ccccc5)c5c(C)ccc6c5oc5c(C(C)(C)C)cccc56)cc4n1c23.

What is the InChIKey of (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine?

The InChIKey is PJTJMDRVPOCCKX-BJLVEROPSA-N. The full InChI is InChI=1S/C65H63N3O/c1-37-23-26-48-47-21-18-22-54(65(12,13)14)60(47)69-61(48)57(37)67(43-19-16-15-17-20-43)44-25-27-46-51-33-42(64(9,10)11)34-52-49(38(2)66(59(51)52)56(46)36-44)35-45-30-39-29-41(63(6,7)8)32-53-50-31-40(62(3,4)5)24-28-55(50)68(45)58(39)53/h15-36H,2H2,1,3-14H3/b49-35+.

What are the key properties of (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine?

(10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine has a molecular weight of 902.24 g/mol, XLogP of 16.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (10Z)-13-tert-butyl-N-(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-[(4,13-ditert-butyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-9-yl)methylidene]-9-methylidene-N-phenyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine is sourced from PubChem (CID 166036571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).