12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene

C66H50N6O — CID 167351720

IUPAC12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene
SMILESCc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6ccc(-c7ccccc7)cc6-c6cccc(-c7ccccc7)c6)c6cc7c(cc65)nc5n7CCCC5)c4)cc32)ncc1-c1ccccc1
InChIInChI=1S/C66H50N6O/c1-44-35-66(67-42-57(44)47-21-9-4-10-22-47)72-60-28-12-11-27-54(60)55-32-31-53(39-61(55)72)73-52-26-16-25-51(38-52)70-43-71(64-41-62-58(40-63(64)70)68-65-29-13-14-34-69(62)65)59-33-30-49(46-19-7-3-8-20-46)37-56(59)50-24-15-23-48(36-50)45-17-5-2-6-18-45/h2-12,15-28,30-33,35-42H,13-14,29,34,43H2,1H3
InChIKeyIHODBYZBYPWVIE-UHFFFAOYSA-N
MW943.17 g/mol
LogP16.88
Rot. Bonds9

About 12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene

12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene (PubChem CID 167351720) has the molecular formula C66H50N6O and a molecular weight of 943.17 g/mol. Its IUPAC name is 12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)phenyl]-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-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene
PubChem CID167351720
Molecular FormulaC66H50N6O
Molecular Weight943.17 g/mol
Exact Mass942.40
IUPAC Name12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene
SMILESCc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6ccc(-c7ccccc7)cc6-c6cccc(-c7ccccc7)c6)c6cc7c(cc65)nc5n7CCCC5)c4)cc32)ncc1-c1ccccc1
InChIInChI=1S/C66H50N6O/c1-44-35-66(67-42-57(44)47-21-9-4-10-22-47)72-60-28-12-11-27-54(60)55-32-31-53(39-61(55)72)73-52-26-16-25-51(38-52)70-43-71(64-41-62-58(40-63(64)70)68-65-29-13-14-34-69(62)65)59-33-30-49(46-19-7-3-8-20-46)37-56(59)50-24-15-23-48(36-50)45-17-5-2-6-18-45/h2-12,15-28,30-33,35-42H,13-14,29,34,43H2,1H3
InChIKeyIHODBYZBYPWVIE-UHFFFAOYSA-N
XLogP16.88
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.17
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)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
2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 164726988
6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164727384
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-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164726844
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
CID 168780267
6-(4-tert-butylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780708
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 169289039
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
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169288868
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

Frequently Asked Questions

What is the IUPAC name of 12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)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 12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene (CID 167351720) is 12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)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 12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)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 12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene is Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6ccc(-c7ccccc7)cc6-c6cccc(-c7ccccc7)c6)c6cc7c(cc65)nc5n7CCCC5)c4)cc32)ncc1-c1ccccc1.
What is the InChIKey of 12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene?
The InChIKey is IHODBYZBYPWVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N6O/c1-44-35-66(67-42-57(44)47-21-9-4-10-22-47)72-60-28-12-11-27-54(60)55-32-31-53(39-61(55)72)73-52-26-16-25-51(38-52)70-43-71(64-41-62-58(40-63(64)70)68-65-29-13-14-34-69(62)65)59-33-30-49(46-19-7-3-8-20-46)37-56(59)50-24-15-23-48(36-50)45-17-5-2-6-18-45/h2-12,15-28,30-33,35-42H,13-14,29,34,43H2,1H3.
What are the key properties of 12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)phenyl]-2,8,12,14-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),7,9,11(15)-tetraene?
12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)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 943.17 g/mol, XLogP of 16.88, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-14-[4-phenyl-2-(3-phenylphenyl)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 167351720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).