4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine

C34H37NO — CID 171746716

IUPAC4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine
SMILESCc1cc(C)c2c(C(C)C)cc(-c3nccc4oc(-c5ccc(CC(C)(C)C)cc5C)cc34)cc2c1
InChIInChI=1S/C34H37NO/c1-20(2)28-17-26(16-25-14-21(3)13-23(5)32(25)28)33-29-18-31(36-30(29)11-12-35-33)27-10-9-24(15-22(27)4)19-34(6,7)8/h9-18,20H,19H2,1-8H3
InChIKeyLLGVYFBHLRATCV-UHFFFAOYSA-N
MW475.68 g/mol
LogP9.95
Rot. Bonds4

About 4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine

4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine (PubChem CID 171746716) has the molecular formula C34H37NO and a molecular weight of 475.68 g/mol. Its IUPAC name is 4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine
PubChem CID171746716
Molecular FormulaC34H37NO
Molecular Weight475.68 g/mol
Exact Mass475.29
IUPAC Name4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine
SMILESCc1cc(C)c2c(C(C)C)cc(-c3nccc4oc(-c5ccc(CC(C)(C)C)cc5C)cc34)cc2c1
InChIInChI=1S/C34H37NO/c1-20(2)28-17-26(16-25-14-21(3)13-23(5)32(25)28)33-29-18-31(36-30(29)11-12-35-33)27-10-9-24(15-22(27)4)19-34(6,7)8/h9-18,20H,19H2,1-8H3
InChIKeyLLGVYFBHLRATCV-UHFFFAOYSA-N
XLogP9.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine
CID 168837332
2-[4-(2,2-dimethylpropyl)phenyl]-3-methyl-7-(7-methyl-5-phenyl-4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 171746735
4-(3,5-dimethylphenyl)-8-(2,2-dimethylpropyl)benzo[f]isoquinoline
CID 156787409
2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine
CID 170660657
1-(3,5-dimethyl-2-propan-2-yl-1-benzofuran-7-yl)-6-(2,2-dimethylpropyl)isoquinoline
CID 167258916
1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
CID 162137474
4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene
CID 163976840
2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 176835562
6-butan-2-yl-1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinoline
CID 146431923
15-(3,5-dimethylphenyl)-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 164783128
1-(4-tert-butylnaphthalen-2-yl)-7-[4-(2,2-dimethylpropyl)-2-methylphenyl]-8-fluoro-[1]benzoselenolo[2,3-c]pyridine
CID 168736821
18-[5-(2,2-dimethylpropyl)-1-benzofuran-2-yl]-20,20,21,21-tetramethyl-9-oxa-4,15-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 176585571

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine?
The IUPAC name of 4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine (CID 171746716) is 4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine?
The canonical SMILES for 4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine is Cc1cc(C)c2c(C(C)C)cc(-c3nccc4oc(-c5ccc(CC(C)(C)C)cc5C)cc34)cc2c1.
What is the InChIKey of 4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine?
The InChIKey is LLGVYFBHLRATCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO/c1-20(2)28-17-26(16-25-14-21(3)13-23(5)32(25)28)33-29-18-31(36-30(29)11-12-35-33)27-10-9-24(15-22(27)4)19-34(6,7)8/h9-18,20H,19H2,1-8H3.
What are the key properties of 4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine?
4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine has a molecular weight of 475.68 g/mol, XLogP of 9.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine is sourced from PubChem (CID 171746716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).