6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline

C41H47NO — CID 167354510

IUPAC6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline
SMILESCc1cc(C)c2c(c1)nc(-c1cc(C(C)(C)C)c3ccc(CC(C)(C)C)cc3c1)c1c3cccc(CC(C)(C)C)c3oc21
InChIInChI=1S/C41H47NO/c1-24-17-25(2)34-33(18-24)42-36(35-31-14-12-13-27(23-40(6,7)8)37(31)43-38(34)35)29-20-28-19-26(22-39(3,4)5)15-16-30(28)32(21-29)41(9,10)11/h12-21H,22-23H2,1-11H3
InChIKeyRDDLVGJIDHSNKK-UHFFFAOYSA-N
MW569.83 g/mol
LogP12.05
Rot. Bonds3

About 6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline

6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline (PubChem CID 167354510) has the molecular formula C41H47NO and a molecular weight of 569.83 g/mol. Its IUPAC name is 6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline
PubChem CID167354510
Molecular FormulaC41H47NO
Molecular Weight569.83 g/mol
Exact Mass569.37
IUPAC Name6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline
SMILESCc1cc(C)c2c(c1)nc(-c1cc(C(C)(C)C)c3ccc(CC(C)(C)C)cc3c1)c1c3cccc(CC(C)(C)C)c3oc21
InChIInChI=1S/C41H47NO/c1-24-17-25(2)34-33(18-24)42-36(35-31-14-12-13-27(23-40(6,7)8)37(31)43-38(34)35)29-20-28-19-26(22-39(3,4)5)15-16-30(28)32(21-29)41(9,10)11/h12-21H,22-23H2,1-11H3
InChIKeyRDDLVGJIDHSNKK-UHFFFAOYSA-N
XLogP12.05
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.83
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline
CID 167354769
6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-1,3-dimethyl-10-(2-methylpropyl)-[1]benzofuro[3,2-c]quinoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 167354814
3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,9-dimethyl-12-oxa-4-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),20-octaene;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 167354698
4-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylfuro[3,2-c]quinoline
CID 166570041
8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene
CID 172520345
12-(4-tert-butylnaphthalen-2-yl)-5-(1,1-dideuterio-2,2-dimethylpropyl)-14-(trideuteriomethyl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 168816477
12-(4-tert-butylnaphthalen-2-yl)-6-(1,1-dideuterio-2-methylpropyl)-14-(trideuteriomethyl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816229
1-(4-tert-butylnaphthalen-2-yl)-7-[4-(2,2-dimethylpropyl)-2-methylphenyl]-8-fluoro-[1]benzoselenolo[2,3-c]pyridine
CID 168736821
2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
CID 134387972
12-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 168816142
7-(4-tert-butylnaphthalen-2-yl)-4-(2,2-dimethylpropyl)-1,8-phenanthroline
CID 156667246
6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene
CID 157113541

Frequently Asked Questions

What is the IUPAC name of 6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline (CID 167354510) is 6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline is Cc1cc(C)c2c(c1)nc(-c1cc(C(C)(C)C)c3ccc(CC(C)(C)C)cc3c1)c1c3cccc(CC(C)(C)C)c3oc21.
What is the InChIKey of 6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is RDDLVGJIDHSNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47NO/c1-24-17-25(2)34-33(18-24)42-36(35-31-14-12-13-27(23-40(6,7)8)37(31)43-38(34)35)29-20-28-19-26(22-39(3,4)5)15-16-30(28)32(21-29)41(9,10)11/h12-21H,22-23H2,1-11H3.
What are the key properties of 6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline?
6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline has a molecular weight of 569.83 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-tert-butyl-7-(2,2-dimethylpropyl)naphthalen-2-yl]-10-(2,2-dimethylpropyl)-1,3-dimethyl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 167354510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).