7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane

C58H43N4O2P — CID 161056830

IUPAC7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane
SMILESO=[N+]([O-])c1ccccc1-c1cccc2ccn(-c3ccccc3)c12.c1ccc(-n2ccc3ccc4[nH]c5ccccc5c4c32)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H14N2O2.C20H14N2.C18H15P/c23-22(24)19-12-5-4-10-17(19)18-11-6-7-15-13-14-21(20(15)18)16-8-2-1-3-9-16;1-2-6-15(7-3-1)22-13-12-14-10-11-18-19(20(14)22)16-8-4-5-9-17(16)21-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-14H;1-13,21H;1-15H
InChIKeyUCWCVKIIWVFVOY-UHFFFAOYSA-N
MW858.98 g/mol
LogP13.92
Rot. Bonds7

About 7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane

7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane (PubChem CID 161056830) has the molecular formula C58H43N4O2P and a molecular weight of 858.98 g/mol. Its IUPAC name is 7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane.

Molecular Properties

Compound Name7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane
PubChem CID161056830
Molecular FormulaC58H43N4O2P
Molecular Weight858.98 g/mol
Exact Mass858.31
IUPAC Name7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane
SMILESO=[N+]([O-])c1ccccc1-c1cccc2ccn(-c3ccccc3)c12.c1ccc(-n2ccc3ccc4[nH]c5ccccc5c4c32)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H14N2O2.C20H14N2.C18H15P/c23-22(24)19-12-5-4-10-17(19)18-11-6-7-15-13-14-21(20(15)18)16-8-2-1-3-9-16;1-2-6-15(7-3-1)22-13-12-14-10-11-18-19(20(14)22)16-8-4-5-9-17(16)21-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-14H;1-13,21H;1-15H
InChIKeyUCWCVKIIWVFVOY-UHFFFAOYSA-N
XLogP13.92
TPSA68.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.98
LogP ≤ 513.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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
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
6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole
CID 160594528
4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole
CID 118197251
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
7-chloro-5-(2-nitrophenyl)-1-phenylindole
CID 90257458
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
3,6-bis(2-nitrophenyl)-9H-carbazole
CID 129277402
4-(8-nitronaphthalen-1-yl)-9-phenylcarbazole
CID 142725520
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341842

Frequently Asked Questions

What is the IUPAC name of 7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane?
The IUPAC name of 7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane (CID 161056830) is 7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane.
What is the SMILES notation for 7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane?
The canonical SMILES for 7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane is O=[N+]([O-])c1ccccc1-c1cccc2ccn(-c3ccccc3)c12.c1ccc(-n2ccc3ccc4[nH]c5ccccc5c4c32)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane?
The InChIKey is UCWCVKIIWVFVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2.C20H14N2.C18H15P/c23-22(24)19-12-5-4-10-17(19)18-11-6-7-15-13-14-21(20(15)18)16-8-2-1-3-9-16;1-2-6-15(7-3-1)22-13-12-14-10-11-18-19(20(14)22)16-8-4-5-9-17(16)21-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-14H;1-13,21H;1-15H.
What are the key properties of 7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane?
7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane has a molecular weight of 858.98 g/mol, XLogP of 13.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane is sourced from PubChem (CID 161056830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).