1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]

C66H67N5O — CID 165374908

About 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]

1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene] (PubChem CID 165374908) has the molecular formula C66H67N5O and a molecular weight of 946.30 g/mol. Its IUPAC name is 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene].

Molecular Properties

• Compound Name: 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]
• PubChem CID: 165374908
• Molecular Formula: C66H67N5O
• Molecular Weight: 946.30 g/mol
• Exact Mass: 945.53
• IUPAC Name: 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]
• SMILES: Cc1cc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)N4CN(C)c6cccc(c64)C54c5c(cc(C(C)(C)C)cc5C(C)(C)C)-c5cc(C(C)(C)C)cc(C(C)(C)C)c54)cc32)ncc1-c1cccnc1
• InChI: InChI=1S/C66H67N5O/c1-39-29-58(68-37-49(39)40-19-18-28-67-36-40)71-54-22-16-15-20-45(54)46-26-24-43(34-56(46)71)72-44-25-27-50-57(35-44)70-38-69(14)55-23-17-21-51(61(55)70)66(50)59-47(30-41(62(2,3)4)32-52(59)64(8,9)10)48-31-42(63(5,6)7)33-53(60(48)66)65(11,12)13/h15-37H,38H2,1-14H3
• InChIKey: GFVRAICBMZLMOI-UHFFFAOYSA-N
• XLogP: 16.75
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.30
LogP ≤ 5	16.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]?

The IUPAC name of 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene] (CID 165374908) is 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene].

What is the SMILES notation for 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]?

The canonical SMILES for 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene] is Cc1cc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)N4CN(C)c6cccc(c64)C54c5c(cc(C(C)(C)C)cc5C(C)(C)C)-c5cc(C(C)(C)C)cc(C(C)(C)C)c54)cc32)ncc1-c1cccnc1.

What is the InChIKey of 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]?

The InChIKey is GFVRAICBMZLMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H67N5O/c1-39-29-58(68-37-49(39)40-19-18-28-67-36-40)71-54-22-16-15-20-45(54)46-26-24-43(34-56(46)71)72-44-25-27-50-57(35-44)70-38-69(14)55-23-17-21-51(61(55)70)66(50)59-47(30-41(62(2,3)4)32-52(59)64(8,9)10)48-31-42(63(5,6)7)33-53(60(48)66)65(11,12)13/h15-37H,38H2,1-14H3.

What are the key properties of 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]?

1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene] has a molecular weight of 946.30 g/mol, XLogP of 16.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene] is sourced from PubChem (CID 165374908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).