4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine

C32H35NO — CID 158736294

IUPAC4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine
SMILESCc1cc2ccccc2c2oc3c(-c4cc(CC(C)(C)C)c(CC(C)(C)C)cn4)cccc3c12
InChIInChI=1S/C32H35NO/c1-20-15-21-11-8-9-12-24(21)30-28(20)26-14-10-13-25(29(26)34-30)27-16-22(17-31(2,3)4)23(19-33-27)18-32(5,6)7/h8-16,19H,17-18H2,1-7H3
InChIKeyCXCNXHNMCSPGBL-UHFFFAOYSA-N
MW449.64 g/mol
LogP9.29
Rot. Bonds3

About 4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine

4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine (PubChem CID 158736294) has the molecular formula C32H35NO and a molecular weight of 449.64 g/mol. Its IUPAC name is 4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine.

Molecular Properties

Compound Name4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine
PubChem CID158736294
Molecular FormulaC32H35NO
Molecular Weight449.64 g/mol
Exact Mass449.27
IUPAC Name4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine
SMILESCc1cc2ccccc2c2oc3c(-c4cc(CC(C)(C)C)c(CC(C)(C)C)cn4)cccc3c12
InChIInChI=1S/C32H35NO/c1-20-15-21-11-8-9-12-24(21)30-28(20)26-14-10-13-25(29(26)34-30)27-16-22(17-31(2,3)4)23(19-33-27)18-32(5,6)7/h8-16,19H,17-18H2,1-7H3
InChIKeyCXCNXHNMCSPGBL-UHFFFAOYSA-N
XLogP9.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-[1]benzofuro[2,3-f]isoquinoline
CID 172522659
10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2,4-dimethyl-[1]benzofuro[2,3-f]isoquinoline
CID 172522663
2-deuterio-4-(2,2-dimethylpropyl)-3-methyl-6-naphtho[2,3-b][1]benzofuran-4-ylpyridine
CID 176623928
2-(1,2-dimethyl-[1]benzothiolo[4,5-b][1]benzofuran-9-yl)-4-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)pyridine
CID 168829191
2-(2,3-dimethyl-[1]benzothiolo[6,7-b][1]benzofuran-7-yl)-4-(2,2-dimethylpropyl)-5-methylpyridine
CID 168829201
4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-[12-(trideuteriomethyl)-3,14-dioxa-22-thiahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16,18,20-decaen-5-yl]pyridine
CID 167346394
7-[4-(2,6-dimethyl-4-phenylphenyl)-5-methyl-2-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole
CID 158986738
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024
4-(2,2-dimethylpropyl)-2-(2-methyl-[1]benzothiolo[4,5-b][1]benzofuran-9-yl)-5-(trideuteriomethyl)pyridine
CID 168829498
2-([1]benzothiolo[4,5-b][1]benzofuran-9-yl)-5-(2,6-dimethylphenyl)-4-(2,2-dimethylpropyl)pyridine
CID 168829660
5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 176779290
12-[4-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166511614

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine?
The IUPAC name of 4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine (CID 158736294) is 4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine.
What is the SMILES notation for 4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine?
The canonical SMILES for 4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine is Cc1cc2ccccc2c2oc3c(-c4cc(CC(C)(C)C)c(CC(C)(C)C)cn4)cccc3c12.
What is the InChIKey of 4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine?
The InChIKey is CXCNXHNMCSPGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO/c1-20-15-21-11-8-9-12-24(21)30-28(20)26-14-10-13-25(29(26)34-30)27-16-22(17-31(2,3)4)23(19-33-27)18-32(5,6)7/h8-16,19H,17-18H2,1-7H3.
What are the key properties of 4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine?
4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine has a molecular weight of 449.64 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,2-dimethylpropyl)-2-(6-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridine is sourced from PubChem (CID 158736294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).