4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C31H26N2O2 — CID 168815650

IUPAC4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCC(C)Cc1ccc2oc3c(c2c1)C(C)(C)c1c-3cccc1-c1ncnc2c1oc1ccccc12
InChIInChI=1S/C31H26N2O2/c1-17(2)14-18-12-13-24-22(15-18)26-29(34-24)21-10-7-9-20(25(21)31(26,3)4)28-30-27(32-16-33-28)19-8-5-6-11-23(19)35-30/h5-13,15-17H,14H2,1-4H3
InChIKeyQYLYZHXSGYFHIB-UHFFFAOYSA-N
MW458.56 g/mol
LogP8.29
Rot. Bonds3

About 4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine

4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 168815650) has the molecular formula C31H26N2O2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID168815650
Molecular FormulaC31H26N2O2
Molecular Weight458.56 g/mol
Exact Mass458.20
IUPAC Name4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCC(C)Cc1ccc2oc3c(c2c1)C(C)(C)c1c-3cccc1-c1ncnc2c1oc1ccccc12
InChIInChI=1S/C31H26N2O2/c1-17(2)14-18-12-13-24-22(15-18)26-29(34-24)21-10-7-9-20(25(21)31(26,3)4)28-30-27(32-16-33-28)19-8-5-6-11-23(19)35-30/h5-13,15-17H,14H2,1-4H3
InChIKeyQYLYZHXSGYFHIB-UHFFFAOYSA-N
XLogP8.29
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline
CID 168815109
2-(2-methylpropyl)dibenzofuran
CID 59877560
4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 156867518
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;4-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-8-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine;iridium
CID 168815102
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 118245556
1-dibenzofuran-2-ylpropan-2-amine
CID 42647881
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108
4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 155102001
4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline
CID 162692391
4-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485301
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran
CID 123603110

Frequently Asked Questions

What is the IUPAC name of 4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 168815650) is 4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine is CC(C)Cc1ccc2oc3c(c2c1)C(C)(C)c1c-3cccc1-c1ncnc2c1oc1ccccc12.
What is the InChIKey of 4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is QYLYZHXSGYFHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O2/c1-17(2)14-18-12-13-24-22(15-18)26-29(34-24)21-10-7-9-20(25(21)31(26,3)4)28-30-27(32-16-33-28)19-8-5-6-11-23(19)35-30/h5-13,15-17H,14H2,1-4H3.
What are the key properties of 4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 458.56 g/mol, XLogP of 8.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 168815650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).