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

C50H50N6O — CID 167351899

IUPAC12-[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
SMILESCc1ccc(N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3cc4nc5n(c4cc32)CCCC5)cc1
InChIInChI=1S/C50H50N6O/c1-32-14-17-35(18-15-32)54-31-55(45-29-41-44(30-46(45)54)53-24-9-8-13-47(53)52-41)36-11-10-12-37(27-36)57-38-19-20-39-40-25-33(49(2,3)4)16-21-42(40)56(43(39)28-38)48-26-34(22-23-51-48)50(5,6)7/h10-12,14-23,25-30H,8-9,13,24,31H2,1-7H3
InChIKeyZSEAEHRPGQXOAR-UHFFFAOYSA-N
MW750.99 g/mol
LogP12.81
Rot. Bonds5

About 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

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 (PubChem CID 167351899) has the molecular formula C50H50N6O and a molecular weight of 750.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[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
PubChem CID167351899
Molecular FormulaC50H50N6O
Molecular Weight750.99 g/mol
Exact Mass750.40
IUPAC Name12-[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
SMILESCc1ccc(N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3cc4nc5n(c4cc32)CCCC5)cc1
InChIInChI=1S/C50H50N6O/c1-32-14-17-35(18-15-32)54-31-55(45-29-41-44(30-46(45)54)53-24-9-8-13-47(53)52-41)36-11-10-12-37(27-36)57-38-19-20-39-40-25-33(49(2,3)4)16-21-42(40)56(43(39)28-38)48-26-34(22-23-51-48)50(5,6)7/h10-12,14-23,25-30H,8-9,13,24,31H2,1-7H3
InChIKeyZSEAEHRPGQXOAR-UHFFFAOYSA-N
XLogP12.81
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.99
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
12-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-methyl-2,8,12-triaza-14-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15),13-pentaene
CID 167351829
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
6-tert-butyl-2-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652666
6-tert-butyl-2-[3-[6-tert-butyl-3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651359
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-2-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176782620
2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 160849063
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155652676
6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157219317
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 157150987
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 161429388

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3cc4nc5n(c4cc32)CCCC5)cc1.
What is the InChIKey of 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?
The InChIKey is ZSEAEHRPGQXOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50N6O/c1-32-14-17-35(18-15-32)54-31-55(45-29-41-44(30-46(45)54)53-24-9-8-13-47(53)52-41)36-11-10-12-37(27-36)57-38-19-20-39-40-25-33(49(2,3)4)16-21-42(40)56(43(39)28-38)48-26-34(22-23-51-48)50(5,6)7/h10-12,14-23,25-30H,8-9,13,24,31H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 750.99 g/mol, XLogP of 12.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167351899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).