6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine

C32H29NO — CID 170545651

IUPAC6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3c2C(C)(C)C(c2cc4ccccc4o2)=C3)cc2ccccc12
InChIInChI=1S/C32H29NO/c1-31(2,3)25-18-23(16-20-10-6-8-12-24(20)25)30-29-22(14-15-33-30)17-26(32(29,4)5)28-19-21-11-7-9-13-27(21)34-28/h6-19H,1-5H3
InChIKeyUCZLRTYXOICEMP-UHFFFAOYSA-N
MW443.59 g/mol
LogP8.78
Rot. Bonds2

About 6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine

6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine (PubChem CID 170545651) has the molecular formula C32H29NO and a molecular weight of 443.59 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine
PubChem CID170545651
Molecular FormulaC32H29NO
Molecular Weight443.59 g/mol
Exact Mass443.22
IUPAC Name6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3c2C(C)(C)C(c2cc4ccccc4o2)=C3)cc2ccccc12
InChIInChI=1S/C32H29NO/c1-31(2,3)25-18-23(16-20-10-6-8-12-24(20)25)30-29-22(14-15-33-30)17-26(32(29,4)5)28-19-21-11-7-9-13-27(21)34-28/h6-19H,1-5H3
InChIKeyUCZLRTYXOICEMP-UHFFFAOYSA-N
XLogP8.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzofuran-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171741463
[2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane
CID 168743775
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-5-yl)furo[2,3-c]pyridine
CID 171718016
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine
CID 171718045
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine
CID 170660593
1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine
CID 176812431
2-(1-benzothiophen-5-yl)-4-(4-tert-butylnaphthalen-2-yl)furo[3,2-c]pyridine
CID 171717712
[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane
CID 171764340
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-5-yl)furo[3,2-c]pyridine
CID 171718181
[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylgermane
CID 171764285
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine
CID 171718247
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine
CID 171718617

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine?
The IUPAC name of 6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine (CID 170545651) is 6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine is CC(C)(C)c1cc(-c2nccc3c2C(C)(C)C(c2cc4ccccc4o2)=C3)cc2ccccc12.
What is the InChIKey of 6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine?
The InChIKey is UCZLRTYXOICEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO/c1-31(2,3)25-18-23(16-20-10-6-8-12-24(20)25)30-29-22(14-15-33-30)17-26(32(29,4)5)28-19-21-11-7-9-13-27(21)34-28/h6-19H,1-5H3.
What are the key properties of 6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine?
6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine has a molecular weight of 443.59 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine is sourced from PubChem (CID 170545651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).