8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran

C40H46O — CID 140875816

IUPAC8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1oc3c(C4CCC5C(C4)C4CCCC6C7CCCCC7C7CCCC5C7C64)cccc3c12
InChIInChI=1S/C40H46O/c1-2-9-25-23(8-1)19-21-36-37(25)34-17-5-12-26(40(34)41-36)24-18-20-29-32-15-6-13-30-27-10-3-4-11-28(27)31-14-7-16-33(35(29)22-24)39(31)38(30)32/h1-2,5,8-9,12,17,19,21,24,27-33,35,38-39H,3-4,6-7,10-11,13-16,18,20,22H2
InChIKeyLORRWWMHRYENAQ-UHFFFAOYSA-N
MW542.81 g/mol
LogP11.14
Rot. Bonds1

About 8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran

8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran (PubChem CID 140875816) has the molecular formula C40H46O and a molecular weight of 542.81 g/mol. Its IUPAC name is 8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran
PubChem CID140875816
Molecular FormulaC40H46O
Molecular Weight542.81 g/mol
Exact Mass542.35
IUPAC Name8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1oc3c(C4CCC5C(C4)C4CCCC6C7CCCCC7C7CCCC5C7C64)cccc3c12
InChIInChI=1S/C40H46O/c1-2-9-25-23(8-1)19-21-36-37(25)34-17-5-12-26(40(34)41-36)24-18-20-29-32-15-6-13-30-27-10-3-4-11-28(27)31-14-7-16-33(35(29)22-24)39(31)38(30)32/h1-2,5,8-9,12,17,19,21,24,27-33,35,38-39H,3-4,6-7,10-11,13-16,18,20,22H2
InChIKeyLORRWWMHRYENAQ-UHFFFAOYSA-N
XLogP11.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.81
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran with MolForge

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Related Compounds

4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)-6-phenyldibenzothiophene
CID 140875787
2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine
CID 140875796
16-oxaheptacyclo[15.12.0.02,15.03,12.04,9.018,27.019,24]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18(27),19,21,23,25,28-tetradecaene
CID 118131021
10-[3-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triacontanyl)phenyl]naphtho[1,2-b][1]benzothiole
CID 140875829
6-benzyl-4-cyclohexylnaphtho[2,3-b][1]benzofuran
CID 158456001
4-butylanthra[2,1-b][1]benzofuran
CID 89117277
5-(3-cyclohexyl-5-phenylcyclohexyl)-8-dibenzofuran-4-yl-2,3,4,4a,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclohepta[b]indole
CID 155017050
1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 159507395
8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
CID 155333434
N-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 170937889
N-methyl-3-naphthalen-1-ylcyclohexan-1-amine
CID 59830952
4-(1-deuteriocyclohexyl)dibenzofuran
CID 157279405

Frequently Asked Questions

What is the IUPAC name of 8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran (CID 140875816) is 8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran is c1ccc2c(c1)ccc1oc3c(C4CCC5C(C4)C4CCCC6C7CCCCC7C7CCCC5C7C64)cccc3c12.
What is the InChIKey of 8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran?
The InChIKey is LORRWWMHRYENAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46O/c1-2-9-25-23(8-1)19-21-36-37(25)34-17-5-12-26(40(34)41-36)24-18-20-29-32-15-6-13-30-27-10-3-4-11-28(27)31-14-7-16-33(35(29)22-24)39(31)38(30)32/h1-2,5,8-9,12,17,19,21,24,27-33,35,38-39H,3-4,6-7,10-11,13-16,18,20,22H2.
What are the key properties of 8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran?
8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran has a molecular weight of 542.81 g/mol, XLogP of 11.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 140875816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).