1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane

C80H57N6O2P — CID 157468101

IUPAC1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane
SMILESO=[N+]([O-])c1ccccc1-c1cccc2ccn(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c12.c1ccc(-c2cc(-c3ccccc3)nc(-n3ccc4ccc5[nH]c6ccccc6c5c43)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H21N3O2.C31H21N3.C18H15P/c35-34(36)29-17-8-7-15-26(29)27-16-9-14-24-18-19-33(31(24)27)30-21-25(22-10-3-1-4-11-22)20-28(32-30)23-12-5-2-6-13-23;1-3-9-21(10-4-1)24-19-28(22-11-5-2-6-12-22)33-29(20-24)34-18-17-23-15-16-27-30(31(23)34)25-13-7-8-14-26(25)32-27;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-21H;1-20,32H;1-15H
InChIKeyBUSCQBDAENSPNJ-UHFFFAOYSA-N
MW1165.35 g/mol
LogP19.37
Rot. Bonds11

About 1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane

1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane (PubChem CID 157468101) has the molecular formula C80H57N6O2P and a molecular weight of 1165.35 g/mol. Its IUPAC name is 1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane.

Molecular Properties

Compound Name1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane
PubChem CID157468101
Molecular FormulaC80H57N6O2P
Molecular Weight1165.35 g/mol
Exact Mass1164.43
IUPAC Name1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane
SMILESO=[N+]([O-])c1ccccc1-c1cccc2ccn(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c12.c1ccc(-c2cc(-c3ccccc3)nc(-n3ccc4ccc5[nH]c6ccccc6c5c43)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H21N3O2.C31H21N3.C18H15P/c35-34(36)29-17-8-7-15-26(29)27-16-9-14-24-18-19-33(31(24)27)30-21-25(22-10-3-1-4-11-22)20-28(32-30)23-12-5-2-6-13-23;1-3-9-21(10-4-1)24-19-28(22-11-5-2-6-12-22)33-29(20-24)34-18-17-23-15-16-27-30(31(23)34)25-13-7-8-14-26(25)32-27;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-21H;1-20,32H;1-15H
InChIKeyBUSCQBDAENSPNJ-UHFFFAOYSA-N
XLogP19.37
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.35
LogP ≤ 519.37
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'}

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Related Compounds

7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane
CID 161056830
6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole
CID 159920528
1-(2-nitrophenyl)-9-phenylcarbazole;12-phenyl-5H-indolo[3,2-c]carbazole;triethyl phosphite
CID 160748116
4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121477925
4-(2-nitrophenyl)-2-phenylpyridine
CID 102105042
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121306346
2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one
CID 155699291
2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole;1-phenyl-6H-pyrrolo[3,2-c]carbazole
CID 162051396
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
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole
CID 87140592

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane?
The IUPAC name of 1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane (CID 157468101) is 1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane.
What is the SMILES notation for 1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane?
The canonical SMILES for 1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane is O=[N+]([O-])c1ccccc1-c1cccc2ccn(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c12.c1ccc(-c2cc(-c3ccccc3)nc(-n3ccc4ccc5[nH]c6ccccc6c5c43)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane?
The InChIKey is BUSCQBDAENSPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O2.C31H21N3.C18H15P/c35-34(36)29-17-8-7-15-26(29)27-16-9-14-24-18-19-33(31(24)27)30-21-25(22-10-3-1-4-11-22)20-28(32-30)23-12-5-2-6-13-23;1-3-9-21(10-4-1)24-19-28(22-11-5-2-6-12-22)33-29(20-24)34-18-17-23-15-16-27-30(31(23)34)25-13-7-8-14-26(25)32-27;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-21H;1-20,32H;1-15H.
What are the key properties of 1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane?
1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane has a molecular weight of 1165.35 g/mol, XLogP of 19.37, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-2-pyridinyl)-7-(2-nitrophenyl)indole;1-(4,6-diphenyl-2-pyridinyl)-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane is sourced from PubChem (CID 157468101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).