5,9-dimethoxy-2-phenyl-1H-benzo[g]indole

C20H17NO2 — CID 14387106

IUPAC5,9-dimethoxy-2-phenyl-1H-benzo[g]indole
SMILESCOc1cc2cc(-c3ccccc3)[nH]c2c2c(OC)cccc12
InChIInChI=1S/C20H17NO2/c1-22-17-10-6-9-15-18(23-2)12-14-11-16(21-20(14)19(15)17)13-7-4-3-5-8-13/h3-12,21H,1-2H3
InChIKeyBSWVFQWUXRWCGZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP5.01
Rot. Bonds3

About 5,9-dimethoxy-2-phenyl-1H-benzo[g]indole

5,9-dimethoxy-2-phenyl-1H-benzo[g]indole (PubChem CID 14387106) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5,9-dimethoxy-2-phenyl-1H-benzo[g]indole.

Molecular Properties

Compound Name5,9-dimethoxy-2-phenyl-1H-benzo[g]indole
PubChem CID14387106
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name5,9-dimethoxy-2-phenyl-1H-benzo[g]indole
SMILESCOc1cc2cc(-c3ccccc3)[nH]c2c2c(OC)cccc12
InChIInChI=1S/C20H17NO2/c1-22-17-10-6-9-15-18(23-2)12-14-11-16(21-20(14)19(15)17)13-7-4-3-5-8-13/h3-12,21H,1-2H3
InChIKeyBSWVFQWUXRWCGZ-UHFFFAOYSA-N
XLogP5.01
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.36
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole
CID 14387104
5,6-dimethoxy-2-phenyl-1H-indole
CID 4066504
2-phenyl-1H-benzo[g]indole-5,9-diol
CID 14387111
7,8-dimethoxy-2-phenyl-1H-quinolin-4-one
CID 11300504
4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene
CID 164666039
1,2,3,8-tetramethoxynaphthalene
CID 91328449
1-methoxy-9,10-diphenylphenanthrene
CID 11439822
(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122183344
3-methoxy-1-methyl-2-phenylnaphthalene
CID 71079447
4-methoxy-2-(4-methoxyphenyl)-1H-indole
CID 159214029
2-fluoro-1,4,8-trimethoxynaphthalene
CID 11253337
5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one
CID 141354542

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethoxy-2-phenyl-1H-benzo[g]indole?
The IUPAC name of 5,9-dimethoxy-2-phenyl-1H-benzo[g]indole (CID 14387106) is 5,9-dimethoxy-2-phenyl-1H-benzo[g]indole.
What is the SMILES notation for 5,9-dimethoxy-2-phenyl-1H-benzo[g]indole?
The canonical SMILES for 5,9-dimethoxy-2-phenyl-1H-benzo[g]indole is COc1cc2cc(-c3ccccc3)[nH]c2c2c(OC)cccc12.
What is the InChIKey of 5,9-dimethoxy-2-phenyl-1H-benzo[g]indole?
The InChIKey is BSWVFQWUXRWCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-22-17-10-6-9-15-18(23-2)12-14-11-16(21-20(14)19(15)17)13-7-4-3-5-8-13/h3-12,21H,1-2H3.
What are the key properties of 5,9-dimethoxy-2-phenyl-1H-benzo[g]indole?
5,9-dimethoxy-2-phenyl-1H-benzo[g]indole has a molecular weight of 303.36 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethoxy-2-phenyl-1H-benzo[g]indole is sourced from PubChem (CID 14387106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).