14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene

C25H20O — CID 140917837

IUPAC14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene
SMILESCC1C=C2c3c1cccc3C(C)(C)c1cccc3oc4cccc2c4c13
InChIInChI=1S/C25H20O/c1-14-13-17-16-8-5-11-20-23(16)24-19(10-6-12-21(24)26-20)25(2,3)18-9-4-7-15(14)22(17)18/h4-14H,1-3H3
InChIKeyMTJGRRSEEDSQBI-UHFFFAOYSA-N
MW336.43 g/mol
LogP6.77
Rot. Bonds

About 14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene

14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene (PubChem CID 140917837) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is 14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene.

Molecular Properties

Compound Name14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene
PubChem CID140917837
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene
SMILESCC1C=C2c3c1cccc3C(C)(C)c1cccc3oc4cccc2c4c13
InChIInChI=1S/C25H20O/c1-14-13-17-16-8-5-11-20-23(16)24-19(10-6-12-21(24)26-20)25(2,3)18-9-4-7-15(14)22(17)18/h4-14H,1-3H3
InChIKeyMTJGRRSEEDSQBI-UHFFFAOYSA-N
XLogP6.77
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene
CID 140744283
10,12,12-trimethyl-20-oxa-7-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13(18),14,16-nonaene
CID 164814685
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568033
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
1-[4-[10-(15,15-dimethyl-6-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 177264878
1-[3-[10-(15,15-dimethyl-6-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 177264821
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
CID 170036685
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran
CID 122425655
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 169035230

Frequently Asked Questions

What is the IUPAC name of 14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene?
The IUPAC name of 14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene (CID 140917837) is 14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene.
What is the SMILES notation for 14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene?
The canonical SMILES for 14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene is CC1C=C2c3c1cccc3C(C)(C)c1cccc3oc4cccc2c4c13.
What is the InChIKey of 14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene?
The InChIKey is MTJGRRSEEDSQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O/c1-14-13-17-16-8-5-11-20-23(16)24-19(10-6-12-21(24)26-20)25(2,3)18-9-4-7-15(14)22(17)18/h4-14H,1-3H3.
What are the key properties of 14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene?
14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene has a molecular weight of 336.43 g/mol, XLogP of 6.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene is sourced from PubChem (CID 140917837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).