6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene

C25H16O2 — CID 118288198

IUPAC6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene
SMILESCc1ccc2c(c1)oc1c2cc(-c2ccccc2)c2c3ccccc3oc12
InChIInChI=1S/C25H16O2/c1-15-11-12-17-20-14-19(16-7-3-2-4-8-16)23-18-9-5-6-10-21(18)26-25(23)24(20)27-22(17)13-15/h2-14H,1H3
InChIKeyTZJTWPXRZPRYDT-UHFFFAOYSA-N
MW348.40 g/mol
LogP7.46
Rot. Bonds1

About 6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene

6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene (PubChem CID 118288198) has the molecular formula C25H16O2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene.

Molecular Properties

Compound Name6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene
PubChem CID118288198
Molecular FormulaC25H16O2
Molecular Weight348.40 g/mol
Exact Mass348.12
IUPAC Name6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene
SMILESCc1ccc2c(c1)oc1c2cc(-c2ccccc2)c2c3ccccc3oc12
InChIInChI=1S/C25H16O2/c1-15-11-12-17-20-14-19(16-7-3-2-4-8-16)23-18-9-5-6-10-21(18)26-25(23)24(20)27-22(17)13-15/h2-14H,1H3
InChIKeyTZJTWPXRZPRYDT-UHFFFAOYSA-N
XLogP7.46
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene with MolForge

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Related Compounds

N-[4-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157330608
5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
CID 118887094
3-methyl-1-phenyldibenzofuran
CID 129266933
11-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 130190049
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
11-(10-phenylanthracen-9-yl)-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130212291
19-methyl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 123734566
3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran
CID 166921667
12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole
CID 172524299
5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 157348273
2,3-diphenyldibenzofuran
CID 12699263
1-(4-methylphenyl)dibenzofuran;3-(4-methylphenyl)dibenzofuran;3-methyl-7-phenyldibenzofuran;4-methyl-1-phenyldibenzofuran;4-(2-methylphenyl)dibenzofuran;4-(3-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran
CID 160682962

Frequently Asked Questions

What is the IUPAC name of 6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene?
The IUPAC name of 6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene (CID 118288198) is 6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene.
What is the SMILES notation for 6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene?
The canonical SMILES for 6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene is Cc1ccc2c(c1)oc1c2cc(-c2ccccc2)c2c3ccccc3oc12.
What is the InChIKey of 6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene?
The InChIKey is TZJTWPXRZPRYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O2/c1-15-11-12-17-20-14-19(16-7-3-2-4-8-16)23-18-9-5-6-10-21(18)26-25(23)24(20)27-22(17)13-15/h2-14H,1H3.
What are the key properties of 6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene?
6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene has a molecular weight of 348.40 g/mol, XLogP of 7.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene is sourced from PubChem (CID 118288198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).