7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole

C24H22N2O — CID 134107340

IUPAC7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
SMILESCOc1ccc2c(c1)CCC1C2=NNC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-27-20-12-14-21-19(15-20)11-13-22-23(25-26-24(21)22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,12,14-15,22-23,25H,11,13H2,1H3
InChIKeyUPRGHCBDAPNGBN-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.97
Rot. Bonds3

About 7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole

7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole (PubChem CID 134107340) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole.

Molecular Properties

Compound Name7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
PubChem CID134107340
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
SMILESCOc1ccc2c(c1)CCC1C2=NNC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-27-20-12-14-21-19(15-20)11-13-22-23(25-26-24(21)22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,12,14-15,22-23,25H,11,13H2,1H3
InChIKeyUPRGHCBDAPNGBN-UHFFFAOYSA-N
XLogP4.97
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4,5-trimethoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
CID 45028888
3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
CID 152764541
4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline
CID 10517706
N-(4-chlorophenyl)-7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide
CID 45036584
1-[(3R,3aR)-7-methoxy-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone
CID 872521
3-methoxy-7-[4-(trifluoromethyl)phenyl]-5,6,6a,7-tetrahydronaphtho[2,1-c][1,5]benzothiazepine
CID 2738105
6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline
CID 18172389
(3R,3aS)-3-(4-methoxyphenyl)-7-methyl-2,3,3a,4,5,10-hexahydropyrazolo[3,4-a]carbazole
CID 135778726
(3S,3aS)-3-(4-methoxyphenyl)-7-methyl-2,3,3a,4,5,10-hexahydropyrazolo[3,4-a]carbazole
CID 135726808
7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene
CID 11689312
(3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine
CID 125490806
methyl 3-(4-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxylate
CID 3714686

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
The IUPAC name of 7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole (CID 134107340) is 7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole.
What is the SMILES notation for 7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
The canonical SMILES for 7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole is COc1ccc2c(c1)CCC1C2=NNC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
The InChIKey is UPRGHCBDAPNGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-27-20-12-14-21-19(15-20)11-13-22-23(25-26-24(21)22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,12,14-15,22-23,25H,11,13H2,1H3.
What are the key properties of 7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole has a molecular weight of 354.45 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole is sourced from PubChem (CID 134107340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).