7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran

C31H22O2 — CID 177298074

IUPAC7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2Oc2cc(-c3cccc4oc5c6ccccc6ccc5c34)ccc21
InChIInChI=1S/C31H22O2/c1-31(2)24-11-5-6-12-26(24)32-28-18-20(15-17-25(28)31)21-10-7-13-27-29(21)23-16-14-19-8-3-4-9-22(19)30(23)33-27/h3-18H,1-2H3
InChIKeySCDDIPNNVVECDC-UHFFFAOYSA-N
MW426.52 g/mol
LogP8.84
Rot. Bonds1

About 7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran

7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 177298074) has the molecular formula C31H22O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran
PubChem CID177298074
Molecular FormulaC31H22O2
Molecular Weight426.52 g/mol
Exact Mass426.16
IUPAC Name7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2Oc2cc(-c3cccc4oc5c6ccccc6ccc5c34)ccc21
InChIInChI=1S/C31H22O2/c1-31(2)24-11-5-6-12-26(24)32-28-18-20(15-17-25(28)31)21-10-7-13-27-29(21)23-16-14-19-8-3-4-9-22(19)30(23)33-27/h3-18H,1-2H3
InChIKeySCDDIPNNVVECDC-UHFFFAOYSA-N
XLogP8.84
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-chlorodibenzofuran-1-yl)-9,9-dimethylxanthene
CID 165382152
2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 165382217
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939628
3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene
CID 156735737
2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 165382201
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984
7-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphtho[1,2-b][1]benzofuran
CID 138664816
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330344
5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190296
11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 177299035
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran (CID 177298074) is 7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran is CC1(C)c2ccccc2Oc2cc(-c3cccc4oc5c6ccccc6ccc5c34)ccc21.
What is the InChIKey of 7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is SCDDIPNNVVECDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O2/c1-31(2)24-11-5-6-12-26(24)32-28-18-20(15-17-25(28)31)21-10-7-13-27-29(21)23-16-14-19-8-3-4-9-22(19)30(23)33-27/h3-18H,1-2H3.
What are the key properties of 7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran?
7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 426.52 g/mol, XLogP of 8.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 177298074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).