6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran

C29H26O — CID 158456001

IUPAC6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran
SMILESc1ccc(Cc2c3ccccc3cc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C29H26O/c1-3-10-20(11-4-1)18-26-23-15-8-7-14-22(23)19-27-25-17-9-16-24(28(25)30-29(26)27)21-12-5-2-6-13-21/h1,3-4,7-11,14-17,19,21H,2,5-6,12-13,18H2
InChIKeyHIADHMOIXRHULJ-UHFFFAOYSA-N
MW390.53 g/mol
LogP8.38
Rot. Bonds3

About 6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran

6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran (PubChem CID 158456001) has the molecular formula C29H26O and a molecular weight of 390.53 g/mol. Its IUPAC name is 6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran
PubChem CID158456001
Molecular FormulaC29H26O
Molecular Weight390.53 g/mol
Exact Mass390.20
IUPAC Name6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran
SMILESc1ccc(Cc2c3ccccc3cc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C29H26O/c1-3-10-20(11-4-1)18-26-23-15-8-7-14-22(23)19-27-25-17-9-16-24(28(25)30-29(26)27)21-12-5-2-6-13-21/h1,3-4,7-11,14-17,19,21H,2,5-6,12-13,18H2
InChIKeyHIADHMOIXRHULJ-UHFFFAOYSA-N
XLogP8.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran
CID 161473617
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263193
6-cyclopentyl-N-methyl-N-phenyldibenzofuran-4-amine
CID 138456793
4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran
CID 160947244
6-cyclohexyl-N-(2,4-dimethylphenyl)-N-methyldibenzofuran-4-amine
CID 138651898
6-cyclohexyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 134527994
6-cyclohexyl-N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaenyl)-N-phenyldibenzofuran-4-amine
CID 90140395
6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 66687004
4-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]dibenzofuran
CID 122519399
6-cyclohexyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527995
1-(2,6-dicyclohexylphenyl)anthracene
CID 141325859

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran?
The IUPAC name of 6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran (CID 158456001) is 6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran is c1ccc(Cc2c3ccccc3cc3c2oc2c(C4CCCCC4)cccc23)cc1.
What is the InChIKey of 6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran?
The InChIKey is HIADHMOIXRHULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O/c1-3-10-20(11-4-1)18-26-23-15-8-7-14-22(23)19-27-25-17-9-16-24(28(25)30-29(26)27)21-12-5-2-6-13-21/h1,3-4,7-11,14-17,19,21H,2,5-6,12-13,18H2.
What are the key properties of 6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran?
6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran has a molecular weight of 390.53 g/mol, XLogP of 8.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 158456001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).