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

C78H58N6O — CID 167351934

IUPAC14-(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
SMILESCc1cc(-n2c3ccccc3c3ccc(Oc4cc(-c5c(-c6ccccc6)cccc5-c5ccccc5)cc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6cc7c(cc65)nc5n7CCCC5)c4)cc32)ncc1-c1ccccc1
InChIInChI=1S/C78H58N6O/c1-52-43-76(79-50-68(52)57-31-15-6-16-32-57)84-70-38-18-17-33-66(70)67-41-40-60(47-71(67)84)85-61-45-58(77-62(53-23-7-2-8-24-53)34-21-35-63(77)54-25-9-3-10-26-54)44-59(46-61)82-51-83(74-49-72-69(48-73(74)82)80-75-39-19-20-42-81(72)75)78-64(55-27-11-4-12-28-55)36-22-37-65(78)56-29-13-5-14-30-56/h2-18,21-38,40-41,43-50H,19-20,39,42,51H2,1H3
InChIKeyWSGBPYIXUKREFC-UHFFFAOYSA-N
MW1095.36 g/mol
LogP20.21
Rot. Bonds11

About 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

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 (PubChem CID 167351934) has the molecular formula C78H58N6O and a molecular weight of 1095.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-(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
PubChem CID167351934
Molecular FormulaC78H58N6O
Molecular Weight1095.36 g/mol
Exact Mass1094.47
IUPAC Name14-(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
SMILESCc1cc(-n2c3ccccc3c3ccc(Oc4cc(-c5c(-c6ccccc6)cccc5-c5ccccc5)cc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6cc7c(cc65)nc5n7CCCC5)c4)cc32)ncc1-c1ccccc1
InChIInChI=1S/C78H58N6O/c1-52-43-76(79-50-68(52)57-31-15-6-16-32-57)84-70-38-18-17-33-66(70)67-41-40-60(47-71(67)84)85-61-45-58(77-62(53-23-7-2-8-24-53)34-21-35-63(77)54-25-9-3-10-26-54)44-59(46-61)82-51-83(74-49-72-69(48-73(74)82)80-75-39-19-20-42-81(72)75)78-64(55-27-11-4-12-28-55)36-22-37-65(78)56-29-13-5-14-30-56/h2-18,21-38,40-41,43-50H,19-20,39,42,51H2,1H3
InChIKeyWSGBPYIXUKREFC-UHFFFAOYSA-N
XLogP20.21
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.36
LogP ≤ 520.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 168780350
2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780806
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
6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780381
9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 168780284
[3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane
CID 164726825

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-n2c3ccccc3c3ccc(Oc4cc(-c5c(-c6ccccc6)cccc5-c5ccccc5)cc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6cc7c(cc65)nc5n7CCCC5)c4)cc32)ncc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is WSGBPYIXUKREFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H58N6O/c1-52-43-76(79-50-68(52)57-31-15-6-16-32-57)84-70-38-18-17-33-66(70)67-41-40-60(47-71(67)84)85-61-45-58(77-62(53-23-7-2-8-24-53)34-21-35-63(77)54-25-9-3-10-26-54)44-59(46-61)82-51-83(74-49-72-69(48-73(74)82)80-75-39-19-20-42-81(72)75)78-64(55-27-11-4-12-28-55)36-22-37-65(78)56-29-13-5-14-30-56/h2-18,21-38,40-41,43-50H,19-20,39,42,51H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1095.36 g/mol, XLogP of 20.21, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167351934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).