4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine

C35H37NO — CID 121342970

IUPAC4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine
SMILESCc1cnc(-c2c(C)ccc3c2oc2cc4c(cc23)C(CC(C)C)(CC(C)C)c2ccccc2-4)cc1C
InChIInChI=1S/C35H37NO/c1-20(2)17-35(18-21(3)4)29-11-9-8-10-25(29)27-16-32-28(15-30(27)35)26-13-12-22(5)33(34(26)37-32)31-14-23(6)24(7)19-36-31/h8-16,19-21H,17-18H2,1-7H3
InChIKeyMUKKIKXJBXNNBV-UHFFFAOYSA-N
MW487.69 g/mol
LogP9.93
Rot. Bonds5

About 4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine

4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine (PubChem CID 121342970) has the molecular formula C35H37NO and a molecular weight of 487.69 g/mol. Its IUPAC name is 4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine
PubChem CID121342970
Molecular FormulaC35H37NO
Molecular Weight487.69 g/mol
Exact Mass487.29
IUPAC Name4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine
SMILESCc1cnc(-c2c(C)ccc3c2oc2cc4c(cc23)C(CC(C)C)(CC(C)C)c2ccccc2-4)cc1C
InChIInChI=1S/C35H37NO/c1-20(2)17-35(18-21(3)4)29-11-9-8-10-25(29)27-16-32-28(15-30(27)35)26-13-12-22(5)33(34(26)37-32)31-14-23(6)24(7)19-36-31/h8-16,19-21H,17-18H2,1-7H3
InChIKeyMUKKIKXJBXNNBV-UHFFFAOYSA-N
XLogP9.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.69
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine with MolForge

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Related Compounds

4-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-5-propan-2-ylpyridine
CID 121342831
4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine
CID 121342810
1,4-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium
CID 155648722
2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine
CID 121343152
7-methyl-14,14-bis(2-methylpropyl)-8-pyridin-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 121342998
4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342967
2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium
CID 159393061
4,5-dimethyl-2-(3'-methylspiro[cyclopentane-1,12'-fluoreno[2,1-b][1]benzofuran]-4'-yl)pyridine
CID 121342774
methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
CID 160590148
2-[7,7-bis(2,2-dimethylpropyl)-3-methylfluoreno[2,3-b][1]benzofuran-4-yl]-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-7,7-bis(2-methylpropyl)fluoreno[2,3-b][1]benzofuran-4-yl]pyridin-1-ium;1-methyl-2-[3-methyl-7,7-di(propan-2-yl)fluoreno[2,3-b][1]benzofuran-4-yl]pyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,7'-fluoreno[2,3-b][1]benzofuran]-4'-yl)pyridin-1-ium
CID 161220498
4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121343005
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

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine?
The IUPAC name of 4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine (CID 121342970) is 4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine.
What is the SMILES notation for 4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine?
The canonical SMILES for 4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine is Cc1cnc(-c2c(C)ccc3c2oc2cc4c(cc23)C(CC(C)C)(CC(C)C)c2ccccc2-4)cc1C.
What is the InChIKey of 4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine?
The InChIKey is MUKKIKXJBXNNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37NO/c1-20(2)17-35(18-21(3)4)29-11-9-8-10-25(29)27-16-32-28(15-30(27)35)26-13-12-22(5)33(34(26)37-32)31-14-23(6)24(7)19-36-31/h8-16,19-21H,17-18H2,1-7H3.
What are the key properties of 4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine?
4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine has a molecular weight of 487.69 g/mol, XLogP of 9.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine is sourced from PubChem (CID 121342970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).