5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole

C21H19NO3 — CID 14387104

IUPAC5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole
SMILESCOc1ccc(-c2cc3cc(OC)c4cccc(OC)c4c3[nH]2)cc1
InChIInChI=1S/C21H19NO3/c1-23-15-9-7-13(8-10-15)17-11-14-12-19(25-3)16-5-4-6-18(24-2)20(16)21(14)22-17/h4-12,22H,1-3H3
InChIKeyBBJNPLPRFUUDGQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.01
Rot. Bonds4

About 5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole

5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole (PubChem CID 14387104) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole.

Molecular Properties

Compound Name5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole
PubChem CID14387104
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole
SMILESCOc1ccc(-c2cc3cc(OC)c4cccc(OC)c4c3[nH]2)cc1
InChIInChI=1S/C21H19NO3/c1-23-15-9-7-13(8-10-15)17-11-14-12-19(25-3)16-5-4-6-18(24-2)20(16)21(14)22-17/h4-12,22H,1-3H3
InChIKeyBBJNPLPRFUUDGQ-UHFFFAOYSA-N
XLogP5.01
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,9-dimethoxy-2-phenyl-1H-benzo[g]indole
CID 14387106
4-methoxy-2-(4-methoxyphenyl)-1H-indole
CID 159214029
7-chloro-2-(4-methoxyphenyl)-1H-indole
CID 131886896
4-methoxy-3-(4-methoxyphenyl)-2-methyl-1H-indole
CID 13415856
1,2,3,8-tetramethoxynaphthalene
CID 91328449
5,6-dimethoxy-2-phenyl-1H-indole
CID 4066504
5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
CID 177413638
2-fluoro-1,4,8-trimethoxynaphthalene
CID 11253337
3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126694462
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
CID 122386604
4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine
CID 86084758
4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene
CID 15422647

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole?
The IUPAC name of 5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole (CID 14387104) is 5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole.
What is the SMILES notation for 5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole?
The canonical SMILES for 5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole is COc1ccc(-c2cc3cc(OC)c4cccc(OC)c4c3[nH]2)cc1.
What is the InChIKey of 5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole?
The InChIKey is BBJNPLPRFUUDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-23-15-9-7-13(8-10-15)17-11-14-12-19(25-3)16-5-4-6-18(24-2)20(16)21(14)22-17/h4-12,22H,1-3H3.
What are the key properties of 5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole?
5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole has a molecular weight of 333.39 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[g]indole is sourced from PubChem (CID 14387104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).