4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine

C31H27NO — CID 121342967

IUPAC4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
SMILESCc1cnc(-c2c(C)ccc3c2oc2c4c(ccc23)-c2ccccc2C42CCCC2)cc1C
InChIInChI=1S/C31H27NO/c1-18-10-11-23-24-13-12-22-21-8-4-5-9-25(21)31(14-6-7-15-31)28(22)30(24)33-29(23)27(18)26-16-19(2)20(3)17-32-26/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3
InChIKeyVPLQQJOTOJQZJT-UHFFFAOYSA-N
MW429.56 g/mol
LogP8.41
Rot. Bonds1

About 4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine

4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine (PubChem CID 121342967) has the molecular formula C31H27NO and a molecular weight of 429.56 g/mol. Its IUPAC name is 4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
PubChem CID121342967
Molecular FormulaC31H27NO
Molecular Weight429.56 g/mol
Exact Mass429.21
IUPAC Name4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
SMILESCc1cnc(-c2c(C)ccc3c2oc2c4c(ccc23)-c2ccccc2C42CCCC2)cc1C
InChIInChI=1S/C31H27NO/c1-18-10-11-23-24-13-12-22-21-8-4-5-9-25(21)31(14-6-7-15-31)28(22)30(24)33-29(23)27(18)26-16-19(2)20(3)17-32-26/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3
InChIKeyVPLQQJOTOJQZJT-UHFFFAOYSA-N
XLogP8.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine with MolForge

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Related Compounds

4,5-dimethyl-2-(3'-methylspiro[cyclopentane-1,12'-fluoreno[2,1-b][1]benzofuran]-4'-yl)pyridine
CID 121342774
2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342984
18-(4,5-dimethyl-2-pyridinyl)-9,9,17-trimethyl-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 121342815
4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine
CID 121342970
4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121343005
7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 121343099
2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine
CID 121343152
1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)pyridin-1-ium
CID 155648941
7-methyl-8-(5-methyl-2-pyridinyl)-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 121342861
4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine
CID 121342810
2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121342988
methane;1'-methylspiro[cyclopentane-1,9'-fluorene]
CID 144945934

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine?
The IUPAC name of 4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine (CID 121342967) is 4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine.
What is the SMILES notation for 4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine?
The canonical SMILES for 4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine is Cc1cnc(-c2c(C)ccc3c2oc2c4c(ccc23)-c2ccccc2C42CCCC2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine?
The InChIKey is VPLQQJOTOJQZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO/c1-18-10-11-23-24-13-12-22-21-8-4-5-9-25(21)31(14-6-7-15-31)28(22)30(24)33-29(23)27(18)26-16-19(2)20(3)17-32-26/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine?
4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine has a molecular weight of 429.56 g/mol, XLogP of 8.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine is sourced from PubChem (CID 121342967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).