4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran

C32H29ClO — CID 167269492

IUPAC4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)oc1c(-c2ccc(-c4ccc(Cl)cc4)cc2)cccc13
InChIInChI=1S/C32H29ClO/c1-31(2)16-17-32(3,4)28-19-29-26(18-27(28)31)25-7-5-6-24(30(25)34-29)22-10-8-20(9-11-22)21-12-14-23(33)15-13-21/h5-15,18-19H,16-17H2,1-4H3
InChIKeyILKCBXSDLKSAEI-UHFFFAOYSA-N
MW465.04 g/mol
LogP9.92
Rot. Bonds2

About 4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran

4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran (PubChem CID 167269492) has the molecular formula C32H29ClO and a molecular weight of 465.04 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran
PubChem CID167269492
Molecular FormulaC32H29ClO
Molecular Weight465.04 g/mol
Exact Mass464.19
IUPAC Name4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)oc1c(-c2ccc(-c4ccc(Cl)cc4)cc2)cccc13
InChIInChI=1S/C32H29ClO/c1-31(2)16-17-32(3,4)28-19-29-26(18-27(28)31)25-7-5-6-24(30(25)34-29)22-10-8-20(9-11-22)21-12-14-23(33)15-13-21/h5-15,18-19H,16-17H2,1-4H3
InChIKeyILKCBXSDLKSAEI-UHFFFAOYSA-N
XLogP9.92
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.04
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran
CID 158538604
2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171430930
6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 171722122
3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene
CID 156735737
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran
CID 170551343
1-methyl-2-[2-methyl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylbenzimidazol-1-ium
CID 166051589
2-(8-chlorodibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146651147
N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine
CID 169030073
4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran
CID 167454705
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
2-[2-(2-chlorophenyl)phenyl]-6-phenyldibenzofuran
CID 177177846

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran?
The IUPAC name of 4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran (CID 167269492) is 4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran is CC1(C)CCC(C)(C)c2cc3c(cc21)oc1c(-c2ccc(-c4ccc(Cl)cc4)cc2)cccc13.
What is the InChIKey of 4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran?
The InChIKey is ILKCBXSDLKSAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClO/c1-31(2)16-17-32(3,4)28-19-29-26(18-27(28)31)25-7-5-6-24(30(25)34-29)22-10-8-20(9-11-22)21-12-14-23(33)15-13-21/h5-15,18-19H,16-17H2,1-4H3.
What are the key properties of 4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran?
4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran has a molecular weight of 465.04 g/mol, XLogP of 9.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)phenyl]-7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 167269492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).