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

C75H55N7O — CID 167351925

IUPAC1-[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
SMILESN#CC1(c2ccc(-n3c4ccccc4c4ccc(Oc5cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)cc(N6CN(c7c(-c8ccccc8)cccc7-c7ccccc7)c7cc8c(cc76)nc6n8CCCC6)c5)cc43)nc2)CC1
InChIInChI=1S/C75H55N7O/c76-48-75(38-39-75)55-34-37-71(77-47-55)82-66-32-14-13-27-63(66)64-36-35-57(44-67(64)82)83-58-42-54(73-59(50-19-5-1-6-20-50)28-17-29-60(73)51-21-7-2-8-22-51)41-56(43-58)80-49-81(70-46-68-65(45-69(70)80)78-72-33-15-16-40-79(68)72)74-61(52-23-9-3-10-24-52)30-18-31-62(74)53-25-11-4-12-26-53/h1-14,17-32,34-37,41-47H,15-16,33,38-40,49H2
InChIKeyDQOANQTUPSOTCV-UHFFFAOYSA-N
MW1070.31 g/mol
LogP18.79
Rot. Bonds11

About 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

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 (PubChem CID 167351925) has the molecular formula C75H55N7O and a molecular weight of 1070.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID167351925
Molecular FormulaC75H55N7O
Molecular Weight1070.31 g/mol
Exact Mass1069.45
IUPAC Name1-[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
SMILESN#CC1(c2ccc(-n3c4ccccc4c4ccc(Oc5cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)cc(N6CN(c7c(-c8ccccc8)cccc7-c7ccccc7)c7cc8c(cc76)nc6n8CCCC6)c5)cc43)nc2)CC1
InChIInChI=1S/C75H55N7O/c76-48-75(38-39-75)55-34-37-71(77-47-55)82-66-32-14-13-27-63(66)64-36-35-57(44-67(64)82)83-58-42-54(73-59(50-19-5-1-6-20-50)28-17-29-60(73)51-21-7-2-8-22-51)41-56(43-58)80-49-81(70-46-68-65(45-69(70)80)78-72-33-15-16-40-79(68)72)74-61(52-23-9-3-10-24-52)30-18-31-62(74)53-25-11-4-12-26-53/h1-14,17-32,34-37,41-47H,15-16,33,38-40,49H2
InChIKeyDQOANQTUPSOTCV-UHFFFAOYSA-N
XLogP18.79
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.31
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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-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
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-[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
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
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
2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole
CID 162704513
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-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-(2-methylphenyl)phenoxy]carbazole
CID 172531195
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#CC1(c2ccc(-n3c4ccccc4c4ccc(Oc5cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)cc(N6CN(c7c(-c8ccccc8)cccc7-c7ccccc7)c7cc8c(cc76)nc6n8CCCC6)c5)cc43)nc2)CC1.
What is the InChIKey of 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?
The InChIKey is DQOANQTUPSOTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H55N7O/c76-48-75(38-39-75)55-34-37-71(77-47-55)82-66-32-14-13-27-63(66)64-36-35-57(44-67(64)82)83-58-42-54(73-59(50-19-5-1-6-20-50)28-17-29-60(73)51-21-7-2-8-22-51)41-56(43-58)80-49-81(70-46-68-65(45-69(70)80)78-72-33-15-16-40-79(68)72)74-61(52-23-9-3-10-24-52)30-18-31-62(74)53-25-11-4-12-26-53/h1-14,17-32,34-37,41-47H,15-16,33,38-40,49H2.
What are the key properties of 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?
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 has a molecular weight of 1070.31 g/mol, XLogP of 18.79, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167351925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).