6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane

C78H51N4O4P — CID 162122555

IUPAC6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane
SMILESO=[N+]([O-])c1ccccc1-c1cc2c3ccccc3n(-c3ccccc3)c2c2oc3ccccc3c12.c1ccc(-n2c3ccccc3c3c4[nH]c5ccccc5c4c4c5ccccc5oc4c32)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H18N2O3.C30H18N2O.C18H15P/c33-32(34)26-16-8-5-12-20(26)23-18-24-21-13-4-7-15-25(21)31(19-10-2-1-3-11-19)29(24)30-28(23)22-14-6-9-17-27(22)35-30;1-2-10-18(11-3-1)32-23-16-8-5-13-20(23)27-28-25(19-12-4-7-15-22(19)31-28)26-21-14-6-9-17-24(21)33-30(26)29(27)32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-18H;1-17,31H;1-15H
InChIKeyZHPKNVYXLXSHAF-UHFFFAOYSA-N
MW1139.26 g/mol
LogP20.02
Rot. Bonds7

About 6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane

6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane (PubChem CID 162122555) has the molecular formula C78H51N4O4P and a molecular weight of 1139.26 g/mol. Its IUPAC name is 6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane.

Molecular Properties

Compound Name6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane
PubChem CID162122555
Molecular FormulaC78H51N4O4P
Molecular Weight1139.26 g/mol
Exact Mass1138.36
IUPAC Name6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane
SMILESO=[N+]([O-])c1ccccc1-c1cc2c3ccccc3n(-c3ccccc3)c2c2oc3ccccc3c12.c1ccc(-n2c3ccccc3c3c4[nH]c5ccccc5c4c4c5ccccc5oc4c32)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H18N2O3.C30H18N2O.C18H15P/c33-32(34)26-16-8-5-12-20(26)23-18-24-21-13-4-7-15-25(21)31(19-10-2-1-3-11-19)29(24)30-28(23)22-14-6-9-17-27(22)35-30;1-2-10-18(11-3-1)32-23-16-8-5-13-20(23)27-28-25(19-12-4-7-15-22(19)31-28)26-21-14-6-9-17-24(21)33-30(26)29(27)32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-18H;1-17,31H;1-15H
InChIKeyZHPKNVYXLXSHAF-UHFFFAOYSA-N
XLogP20.02
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.26
LogP ≤ 520.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane with MolForge

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Related Compounds

18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635866
18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 167516002
6,12-diphenyl-5H-indolo[3,2-c]carbazole
CID 67494594
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole
CID 154697323
N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
CID 134275427
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
1-(2-nitrophenyl)-9-phenylcarbazole;12-phenyl-5H-indolo[3,2-c]carbazole;triethyl phosphite
CID 160748116
4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole
CID 165042546
5-methyl-6-(2-methylphenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 144726077
6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 146368988

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane?
The IUPAC name of 6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane (CID 162122555) is 6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane.
What is the SMILES notation for 6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane?
The canonical SMILES for 6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane is O=[N+]([O-])c1ccccc1-c1cc2c3ccccc3n(-c3ccccc3)c2c2oc3ccccc3c12.c1ccc(-n2c3ccccc3c3c4[nH]c5ccccc5c4c4c5ccccc5oc4c32)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane?
The InChIKey is ZHPKNVYXLXSHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O3.C30H18N2O.C18H15P/c33-32(34)26-16-8-5-12-20(26)23-18-24-21-13-4-7-15-25(21)31(19-10-2-1-3-11-19)29(24)30-28(23)22-14-6-9-17-27(22)35-30;1-2-10-18(11-3-1)32-23-16-8-5-13-20(23)27-28-25(19-12-4-7-15-22(19)31-28)26-21-14-6-9-17-24(21)33-30(26)29(27)32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-18H;1-17,31H;1-15H.
What are the key properties of 6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane?
6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane has a molecular weight of 1139.26 g/mol, XLogP of 20.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane is sourced from PubChem (CID 162122555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).