6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline

C34H33NO — CID 167354769

IUPAC6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline
SMILESCc1cc(C)c2c(c1)nc(-c1cc(C(C)(C)C)c3ccccc3c1)c1c3cccc(C(C)C)c3oc21
InChIInChI=1S/C34H33NO/c1-19(2)24-13-10-14-26-30-31(23-17-22-11-8-9-12-25(22)27(18-23)34(5,6)7)35-28-16-20(3)15-21(4)29(28)33(30)36-32(24)26/h8-19H,1-7H3
InChIKeyBWZHIHMYQKUQNC-UHFFFAOYSA-N
MW471.64 g/mol
LogP9.99
Rot. Bonds2

About 6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline

6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline (PubChem CID 167354769) has the molecular formula C34H33NO and a molecular weight of 471.64 g/mol. Its IUPAC name is 6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline
PubChem CID167354769
Molecular FormulaC34H33NO
Molecular Weight471.64 g/mol
Exact Mass471.26
IUPAC Name6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline
SMILESCc1cc(C)c2c(c1)nc(-c1cc(C(C)(C)C)c3ccccc3c1)c1c3cccc(C(C)C)c3oc21
InChIInChI=1S/C34H33NO/c1-19(2)24-13-10-14-26-30-31(23-17-22-11-8-9-12-25(22)27(18-23)34(5,6)7)35-28-16-20(3)15-21(4)29(28)33(30)36-32(24)26/h8-19H,1-7H3
InChIKeyBWZHIHMYQKUQNC-UHFFFAOYSA-N
XLogP9.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.64
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline with MolForge

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Related Compounds

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
6-phenyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline
CID 167354912
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)-14-methyl-5-propan-2-yl-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 168815916
2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
CID 134387972
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
6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline
CID 167354676
13-(4-tert-butylnaphthalen-2-yl)-3,3,6,6,9-pentamethyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
CID 176779865
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
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
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine
CID 171718247

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline (CID 167354769) is 6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline is Cc1cc(C)c2c(c1)nc(-c1cc(C(C)(C)C)c3ccccc3c1)c1c3cccc(C(C)C)c3oc21.
What is the InChIKey of 6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is BWZHIHMYQKUQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NO/c1-19(2)24-13-10-14-26-30-31(23-17-22-11-8-9-12-25(22)27(18-23)34(5,6)7)35-28-16-20(3)15-21(4)29(28)33(30)36-32(24)26/h8-19H,1-7H3.
What are the key properties of 6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline?
6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline has a molecular weight of 471.64 g/mol, XLogP of 9.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylnaphthalen-2-yl)-1,3-dimethyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 167354769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).