12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole

C150H94N15O3+ — CID 157110319

IUPAC12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2n[n+](-c3ccccc3)cn2-c2ccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3c2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c4)c23)cc1
InChIInChI=1S/C50H32N5O.2C50H31N5O/c1-3-15-33(16-4-1)50-51-53(34-17-5-2-6-18-34)32-52(50)35-27-28-38-36-19-7-10-22-42(36)54(46(38)31-35)44-24-12-13-25-45(44)55-43-23-11-8-20-37(43)40-29-30-41-39-21-9-14-26-47(39)56-49(41)48(40)55;1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)55(49)44-27-14-24-39-36-21-7-10-25-42(36)53(46(39)44)34-19-13-20-35(31-34)54-43-26-11-8-22-37(43)40-29-30-41-38-23-9-12-28-45(38)56-48(41)47(40)54;1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)55(49)43-27-14-26-42-46(43)38-22-8-11-25-41(38)53(42)34-19-13-20-35(31-34)54-40-24-10-7-21-36(40)37-29-30-45-47(48(37)54)39-23-9-12-28-44(39)56-45/h1-32H;2*1-31H/q+1;;
InChIKeyMYZGRPFVTZYKAY-UHFFFAOYSA-N
MW2154.50 g/mol
LogP37.30
Rot. Bonds15

About 12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole

12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 157110319) has the molecular formula C150H94N15O3+ and a molecular weight of 2154.50 g/mol. Its IUPAC name is 12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID157110319
Molecular FormulaC150H94N15O3+
Molecular Weight2154.50 g/mol
Exact Mass2152.77
IUPAC Name12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2n[n+](-c3ccccc3)cn2-c2ccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3c2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c4)c23)cc1
InChIInChI=1S/C50H32N5O.2C50H31N5O/c1-3-15-33(16-4-1)50-51-53(34-17-5-2-6-18-34)32-52(50)35-27-28-38-36-19-7-10-22-42(36)54(46(38)31-35)44-24-12-13-25-45(44)55-43-23-11-8-20-37(43)40-29-30-41-39-21-9-14-26-47(39)56-49(41)48(40)55;1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)55(49)44-27-14-24-39-36-21-7-10-25-42(36)53(46(39)44)34-19-13-20-35(31-34)54-43-26-11-8-22-37(43)40-29-30-41-38-23-9-12-28-45(38)56-48(41)47(40)54;1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)55(49)43-27-14-26-42-46(43)38-22-8-11-25-41(38)53(42)34-19-13-20-35(31-34)54-40-24-10-7-21-36(40)37-29-30-45-47(48(37)54)39-23-9-12-28-44(39)56-45/h1-32H;2*1-31H/q+1;;
InChIKeyMYZGRPFVTZYKAY-UHFFFAOYSA-N
XLogP37.30
TPSA152.12 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002154.50
LogP ≤ 537.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole with MolForge

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Related Compounds

1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide
CID 166055672
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-5-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]but-2-enyl]furo[2,3-e]benzimidazole-5-carboxamide
CID 164626257
27-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160000
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-2-methylcarbazole;9-[4-(3,5-difluorophenyl)-3-(2-pyrazin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157608574
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157838223
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-isocyano-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[4-isocyano-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2-pyrimidin-2-ylcarbazole
CID 157879294
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;3-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 158351719
3-[4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]benzonitrile;3-[4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]benzonitrile;3-[4,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyanophenyl]benzonitrile;3-[4,5-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-methylphenyl]benzonitrile;9-[4-(3-isocyanophenyl)-5-methyl-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(3-isocyanophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole
CID 159788476
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3-cyano-5-methylphenyl)benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3-cyano-5-methylphenyl)benzonitrile;9-[4-isocyano-5-[3-isocyano-5-(trifluoromethyl)phenyl]-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 160010463
2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;methane;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 161276231
3,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;3,5-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;3,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 161775609
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-3-(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-3-pyrimidin-2-ylcarbazole
CID 161882548

Frequently Asked Questions

What is the IUPAC name of 12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole (CID 157110319) is 12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2n[n+](-c3ccccc3)cn2-c2ccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3c2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c4)c23)cc1.
What is the InChIKey of 12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is MYZGRPFVTZYKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N5O.2C50H31N5O/c1-3-15-33(16-4-1)50-51-53(34-17-5-2-6-18-34)32-52(50)35-27-28-38-36-19-7-10-22-42(36)54(46(38)31-35)44-24-12-13-25-45(44)55-43-23-11-8-20-37(43)40-29-30-41-39-21-9-14-26-47(39)56-49(41)48(40)55;1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)55(49)44-27-14-24-39-36-21-7-10-25-42(36)53(46(39)44)34-19-13-20-35(31-34)54-43-26-11-8-22-37(43)40-29-30-41-38-23-9-12-28-45(38)56-48(41)47(40)54;1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)55(49)43-27-14-26-42-46(43)38-22-8-11-25-41(38)53(42)34-19-13-20-35(31-34)54-40-24-10-7-21-36(40)37-29-30-45-47(48(37)54)39-23-9-12-28-44(39)56-45/h1-32H;2*1-31H/q+1;;.
What are the key properties of 12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 2154.50 g/mol, XLogP of 37.30, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-[2-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 157110319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).