9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole

C23H19FN2O3 — CID 139243713

IUPAC9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole
SMILESCN1c2ccc(F)cc2C2(C)Cc3cc([N+](=O)[O-])ccc3OC12c1ccccc1
InChIInChI=1S/C23H19FN2O3/c1-22-14-15-12-18(26(27)28)9-11-21(15)29-23(22,16-6-4-3-5-7-16)25(2)20-10-8-17(24)13-19(20)22/h3-13H,14H2,1-2H3
InChIKeyHWLHZPXIXJQQIQ-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.93
Rot. Bonds2

About 9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole

9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole (PubChem CID 139243713) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole.

Molecular Properties

Compound Name9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole
PubChem CID139243713
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole
SMILESCN1c2ccc(F)cc2C2(C)Cc3cc([N+](=O)[O-])ccc3OC12c1ccccc1
InChIInChI=1S/C23H19FN2O3/c1-22-14-15-12-18(26(27)28)9-11-21(15)29-23(22,16-6-4-3-5-7-16)25(2)20-10-8-17(24)13-19(20)22/h3-13H,14H2,1-2H3
InChIKeyHWLHZPXIXJQQIQ-UHFFFAOYSA-N
XLogP4.93
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
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'}

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Related Compounds

1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)
CID 99766
1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)
CID 85986
1',3'-dihydro-8-methoxy-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)
CID 99765
Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6,8-dinitro-
CID 89289
Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-8-nitro-
CID 107628
4b,14-dimethyl-12-nitro-4b,6,7,14-tetrahydro-5H-chromeno[3,2-j]carbazole
CID 3316951
3',3'-Dimethyl-6-nitro-1'-phenyl-8-prop-2-enylspiro[chromene-2,2'-indole]
CID 4033545
4b,14-dimethyl-10,12-dinitro-4b,6,7,14-tetrahydro-5H-chromeno[3,2-j]carbazole
CID 4252488
1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran)
CID 194005
2-(13,13-dimethyl-6-nitrospiro[2H-chromene-2,2'-indoline]-11-yl)acetamide
CID 3786416
2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol
CID 3104858
5',8-Dimethoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]
CID 15994039

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole?
The IUPAC name of 9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole (CID 139243713) is 9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole.
What is the SMILES notation for 9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole?
The canonical SMILES for 9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole is CN1c2ccc(F)cc2C2(C)Cc3cc([N+](=O)[O-])ccc3OC12c1ccccc1.
What is the InChIKey of 9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole?
The InChIKey is HWLHZPXIXJQQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-22-14-15-12-18(26(27)28)9-11-21(15)29-23(22,16-6-4-3-5-7-16)25(2)20-10-8-17(24)13-19(20)22/h3-13H,14H2,1-2H3.
What are the key properties of 9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole?
9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole has a molecular weight of 390.41 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6,10b-dimethyl-2-nitro-5a-phenyl-11H-chromeno[2,3-b]indole is sourced from PubChem (CID 139243713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).