3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran

C30H30O — CID 167154926

IUPAC3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran
SMILESCC(C)(CCC(C)(C)c1ccc2c(c1)oc1ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C30H30O/c1-29(2,23-14-13-21-9-5-6-10-22(21)19-23)17-18-30(3,4)24-15-16-26-25-11-7-8-12-27(25)31-28(26)20-24/h5-16,19-20H,17-18H2,1-4H3
InChIKeyBKQBLISRXPLPBU-UHFFFAOYSA-N
MW406.57 g/mol
LogP8.77
Rot. Bonds5

About 3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran

3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran (PubChem CID 167154926) has the molecular formula C30H30O and a molecular weight of 406.57 g/mol. Its IUPAC name is 3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran.

Molecular Properties

Compound Name3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran
PubChem CID167154926
Molecular FormulaC30H30O
Molecular Weight406.57 g/mol
Exact Mass406.23
IUPAC Name3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran
SMILESCC(C)(CCC(C)(C)c1ccc2c(c1)oc1ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C30H30O/c1-29(2,23-14-13-21-9-5-6-10-22(21)19-23)17-18-30(3,4)24-15-16-26-25-11-7-8-12-27(25)31-28(26)20-24/h5-16,19-20H,17-18H2,1-4H3
InChIKeyBKQBLISRXPLPBU-UHFFFAOYSA-N
XLogP8.77
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787408
7-tert-butyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118153211
3-dibenzofuran-2-yl-3-methylbutan-1-ol
CID 79838391
3-naphthalen-2-yldibenzofuran
CID 68932481
3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran
CID 118488750
2-methyl-2-naphthalen-2-ylpropane-1-thiol
CID 116866528
2-(2,4,4-trimethylpentan-2-yl)naphthalene
CID 18987503
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
CID 142369862
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359
N-dibenzofuran-3-yl-N-naphthalen-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779604

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran?
The IUPAC name of 3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran (CID 167154926) is 3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran.
What is the SMILES notation for 3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran?
The canonical SMILES for 3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran is CC(C)(CCC(C)(C)c1ccc2c(c1)oc1ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of 3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran?
The InChIKey is BKQBLISRXPLPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O/c1-29(2,23-14-13-21-9-5-6-10-22(21)19-23)17-18-30(3,4)24-15-16-26-25-11-7-8-12-27(25)31-28(26)20-24/h5-16,19-20H,17-18H2,1-4H3.
What are the key properties of 3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran?
3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran has a molecular weight of 406.57 g/mol, XLogP of 8.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran is sourced from PubChem (CID 167154926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).