6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole

C60H42N6O2 — CID 159920528

IUPAC6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2ccn(-c3ccccc3)c2c1.c1ccc(-n2ccc3cc4[nH]c5ccccc5c4cc32)cc1.c1ccc(-n2ccc3ccc4c5ccccc5[nH]c4c32)cc1
InChIInChI=1S/C20H14N2O2.2C20H14N2/c23-22(24)19-9-5-4-8-18(19)16-11-10-15-12-13-21(20(15)14-16)17-6-2-1-3-7-17;1-2-6-15(7-3-1)22-11-10-14-12-19-17(13-20(14)22)16-8-4-5-9-18(16)21-19;1-2-6-15(7-3-1)22-13-12-14-10-11-17-16-8-4-5-9-18(16)21-19(17)20(14)22/h1-14H;2*1-13,21H
InChIKeyNYILWHFUOSICHC-UHFFFAOYSA-N
MW879.04 g/mol
LogP15.74
Rot. Bonds5

About 6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole

6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole (PubChem CID 159920528) has the molecular formula C60H42N6O2 and a molecular weight of 879.04 g/mol. Its IUPAC name is 6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole
PubChem CID159920528
Molecular FormulaC60H42N6O2
Molecular Weight879.04 g/mol
Exact Mass878.34
IUPAC Name6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2ccn(-c3ccccc3)c2c1.c1ccc(-n2ccc3cc4[nH]c5ccccc5c4cc32)cc1.c1ccc(-n2ccc3ccc4c5ccccc5[nH]c4c32)cc1
InChIInChI=1S/C20H14N2O2.2C20H14N2/c23-22(24)19-9-5-4-8-18(19)16-11-10-15-12-13-21(20(15)14-16)17-6-2-1-3-7-17;1-2-6-15(7-3-1)22-11-10-14-12-19-17(13-20(14)22)16-8-4-5-9-18(16)21-19;1-2-6-15(7-3-1)22-13-12-14-10-11-17-16-8-4-5-9-18(16)21-19(17)20(14)22/h1-14H;2*1-13,21H
InChIKeyNYILWHFUOSICHC-UHFFFAOYSA-N
XLogP15.74
TPSA89.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.04
LogP ≤ 515.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole
CID 160594528
7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane
CID 161056830
7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223157
3,6-bis(2-nitrophenyl)-9H-carbazole
CID 129277402
7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
CID 90257402
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
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
7-chloro-5-(2-nitrophenyl)-1-phenylindole
CID 90257458
1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen
CID 144941684
2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one
CID 155699291
1-(10-bromophenanthren-9-yl)-5-(2-nitrophenyl)indole
CID 142725507
7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
CID 90223239

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole?
The IUPAC name of 6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole (CID 159920528) is 6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole.
What is the SMILES notation for 6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole?
The canonical SMILES for 6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole is O=[N+]([O-])c1ccccc1-c1ccc2ccn(-c3ccccc3)c2c1.c1ccc(-n2ccc3cc4[nH]c5ccccc5c4cc32)cc1.c1ccc(-n2ccc3ccc4c5ccccc5[nH]c4c32)cc1.
What is the InChIKey of 6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole?
The InChIKey is NYILWHFUOSICHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2.2C20H14N2/c23-22(24)19-9-5-4-8-18(19)16-11-10-15-12-13-21(20(15)14-16)17-6-2-1-3-7-17;1-2-6-15(7-3-1)22-11-10-14-12-19-17(13-20(14)22)16-8-4-5-9-18(16)21-19;1-2-6-15(7-3-1)22-13-12-14-10-11-17-16-8-4-5-9-18(16)21-19(17)20(14)22/h1-14H;2*1-13,21H.
What are the key properties of 6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole?
6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole has a molecular weight of 879.04 g/mol, XLogP of 15.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole is sourced from PubChem (CID 159920528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).