14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene

C87H84N6O — CID 167351858

IUPAC14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene
SMILESCC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc(-c3ccc(C(C)(C)C)cc3)c2N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c3)c3cc4nc5n(c4cc32)CCCC5)cc1
InChIInChI=1S/C87H84N6O/c1-84(2,3)61-37-33-58(34-38-61)72-48-64(87(10,11)12)49-73(59-35-39-62(40-36-59)85(4,5)6)83(72)92-55-91(78-53-74-77(54-79(78)92)90-45-22-21-32-80(90)89-74)65-46-60(82-68(56-24-15-13-16-25-56)29-23-30-69(82)57-26-17-14-18-27-57)47-67(51-65)94-66-41-42-71-70-28-19-20-31-75(70)93(76(71)52-66)81-50-63(43-44-88-81)86(7,8)9/h13-20,23-31,33-44,46-54H,21-22,32,45,55H2,1-12H3
InChIKeyXCKKMRQWSFKVTK-UHFFFAOYSA-N
MW1229.67 g/mol
LogP23.43
Rot. Bonds10

About 14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene

14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene (PubChem CID 167351858) has the molecular formula C87H84N6O and a molecular weight of 1229.67 g/mol. Its IUPAC name is 14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene.

Molecular Properties

Compound Name14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene
PubChem CID167351858
Molecular FormulaC87H84N6O
Molecular Weight1229.67 g/mol
Exact Mass1228.67
IUPAC Name14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene
SMILESCC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc(-c3ccc(C(C)(C)C)cc3)c2N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c3)c3cc4nc5n(c4cc32)CCCC5)cc1
InChIInChI=1S/C87H84N6O/c1-84(2,3)61-37-33-58(34-38-61)72-48-64(87(10,11)12)49-73(59-35-39-62(40-36-59)85(4,5)6)83(72)92-55-91(78-53-74-77(54-79(78)92)90-45-22-21-32-80(90)89-74)65-46-60(82-68(56-24-15-13-16-25-56)29-23-30-69(82)57-26-17-14-18-27-57)47-67(51-65)94-66-41-42-71-70-28-19-20-31-75(70)93(76(71)52-66)81-50-63(43-44-88-81)86(7,8)9/h13-20,23-31,33-44,46-54H,21-22,32,45,55H2,1-12H3
InChIKeyXCKKMRQWSFKVTK-UHFFFAOYSA-N
XLogP23.43
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001229.67
LogP ≤ 523.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene with MolForge

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Related Compounds

14-(2,6-diphenylphenyl)-12-[3-(2,6-diphenylphenyl)-5-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene
CID 167351934
14-(4-tert-butylphenyl)-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene
CID 167351734
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-1-yl]-5-(2,6-diphenylphenyl)phenoxy]carbazole
CID 172530728
1-[6-[2-[3-(2,6-diphenylphenyl)-5-[14-(2,6-diphenylphenyl)-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraen-12-yl]phenoxy]carbazol-9-yl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 167351925
12-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-(4-methylphenyl)-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene
CID 167351899
14-tert-butyl-12-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene
CID 167351927
9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490664
2-[3-[6-tert-butyl-3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 177082709
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 172545914
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-1-yl]-5-phenylphenoxy]carbazole
CID 172530566
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-(2-methylphenyl)phenoxy]carbazole
CID 172531195
2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783962

Frequently Asked Questions

What is the IUPAC name of 14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene?
The IUPAC name of 14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene (CID 167351858) is 14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene.
What is the SMILES notation for 14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene?
The canonical SMILES for 14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene is CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc(-c3ccc(C(C)(C)C)cc3)c2N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c3)c3cc4nc5n(c4cc32)CCCC5)cc1.
What is the InChIKey of 14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene?
The InChIKey is XCKKMRQWSFKVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H84N6O/c1-84(2,3)61-37-33-58(34-38-61)72-48-64(87(10,11)12)49-73(59-35-39-62(40-36-59)85(4,5)6)83(72)92-55-91(78-53-74-77(54-79(78)92)90-45-22-21-32-80(90)89-74)65-46-60(82-68(56-24-15-13-16-25-56)29-23-30-69(82)57-26-17-14-18-27-57)47-67(51-65)94-66-41-42-71-70-28-19-20-31-75(70)93(76(71)52-66)81-50-63(43-44-88-81)86(7,8)9/h13-20,23-31,33-44,46-54H,21-22,32,45,55H2,1-12H3.
What are the key properties of 14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene?
14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene has a molecular weight of 1229.67 g/mol, XLogP of 23.43, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-12-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene is sourced from PubChem (CID 167351858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).