7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine

C32H29F2NO — CID 165383618

IUPAC7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine
SMILESCc1c(-c2ccc3c(c2)CCC(F)(F)C3)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C32H29F2NO/c1-19-25-12-14-35-28(24-16-21-7-5-6-8-26(21)27(17-24)31(2,3)4)30(25)36-29(19)22-9-10-23-18-32(33,34)13-11-20(23)15-22/h5-10,12,14-17H,11,13,18H2,1-4H3
InChIKeyXJLLHCMSFVXWKX-UHFFFAOYSA-N
MW481.59 g/mol
LogP9.04
Rot. Bonds2

About 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine (PubChem CID 165383618) has the molecular formula C32H29F2NO and a molecular weight of 481.59 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine
PubChem CID165383618
Molecular FormulaC32H29F2NO
Molecular Weight481.59 g/mol
Exact Mass481.22
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine
SMILESCc1c(-c2ccc3c(c2)CCC(F)(F)C3)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C32H29F2NO/c1-19-25-12-14-35-28(24-16-21-7-5-6-8-26(21)27(17-24)31(2,3)4)30(25)36-29(19)22-9-10-23-18-32(33,34)13-11-20(23)15-22/h5-10,12,14-17H,11,13,18H2,1-4H3
InChIKeyXJLLHCMSFVXWKX-UHFFFAOYSA-N
XLogP9.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine with MolForge

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Related Compounds

7-Tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine
CID 102408765
2-(4-Fluorophenyl)-5-[2-(4-fluorophenyl)ethynyl]furo[3,2-h]quinoline
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2-Methyl-5-(1-isoquinolinyl)furan
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CID 90257149
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CID 10717157
4-(5-Fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol
CID 11631492
2-(5-Trifluoromethylpyridine-2-yl)benzofuran
CID 20767336
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzoxazol-3-ium
CID 57573066
3-Methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-ium
CID 57573191
Methyl 1-((4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl)methyl)azetidine-3-carboxylate
CID 58415359
1,1,1-Trifluoro-4-(5-fluoro-2-methylphenyl)-2-(furo[2,3-c]pyridin-2-ylmethyl)-4-methylpentan-2-ol
CID 58599562

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine (CID 165383618) is 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine is Cc1c(-c2ccc3c(c2)CCC(F)(F)C3)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine?
The InChIKey is XJLLHCMSFVXWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2NO/c1-19-25-12-14-35-28(24-16-21-7-5-6-8-26(21)27(17-24)31(2,3)4)30(25)36-29(19)22-9-10-23-18-32(33,34)13-11-20(23)15-22/h5-10,12,14-17H,11,13,18H2,1-4H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine has a molecular weight of 481.59 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylnaphthalen-2-yl)-2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-3-methylfuro[2,3-c]pyridine is sourced from PubChem (CID 165383618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).