6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene

C36H26O2 — CID 70923701

IUPAC6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
SMILESCC1=CC(c2ccc3c(c2)oc2c4oc5cc(-c6cccc(C)c6)ccc5c4c4ccccc4c32)=CCC1
InChIInChI=1S/C36H26O2/c1-21-7-5-9-23(17-21)25-13-15-29-31(19-25)37-35-33(29)27-11-3-4-12-28(27)34-30-16-14-26(20-32(30)38-36(34)35)24-10-6-8-22(2)18-24/h3-5,7,9-20H,6,8H2,1-2H3
InChIKeySMSFNIDPAOPODT-UHFFFAOYSA-N
MW490.60 g/mol
LogP10.74
Rot. Bonds2

About 6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene

6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene (PubChem CID 70923701) has the molecular formula C36H26O2 and a molecular weight of 490.60 g/mol. Its IUPAC name is 6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene.

Molecular Properties

Compound Name6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
PubChem CID70923701
Molecular FormulaC36H26O2
Molecular Weight490.60 g/mol
Exact Mass490.19
IUPAC Name6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
SMILESCC1=CC(c2ccc3c(c2)oc2c4oc5cc(-c6cccc(C)c6)ccc5c4c4ccccc4c32)=CCC1
InChIInChI=1S/C36H26O2/c1-21-7-5-9-23(17-21)25-13-15-29-31(19-25)37-35-33(29)27-11-3-4-12-28(27)34-30-16-14-26(20-32(30)38-36(34)35)24-10-6-8-22(2)18-24/h3-5,7,9-20H,6,8H2,1-2H3
InChIKeySMSFNIDPAOPODT-UHFFFAOYSA-N
XLogP10.74
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene 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

6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59181915
3-(3-methylphenyl)dibenzofuran
CID 70924364
18-phenyl-5-(3-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933535
18-phenyl-5-(4-phenylnaphthalen-1-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933539
ethane;2-(3-methylphenyl)triphenylene
CID 90881937
2-[3-methyl-5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-4-phenylquinazoline
CID 142293942
19-[3-(3-methylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142293899
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
5,18-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933534
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
6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
4-[3-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]-2,6-diphenylpyrimidine
CID 145110724

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?
The IUPAC name of 6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene (CID 70923701) is 6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene.
What is the SMILES notation for 6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?
The canonical SMILES for 6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene is CC1=CC(c2ccc3c(c2)oc2c4oc5cc(-c6cccc(C)c6)ccc5c4c4ccccc4c32)=CCC1.
What is the InChIKey of 6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?
The InChIKey is SMSFNIDPAOPODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O2/c1-21-7-5-9-23(17-21)25-13-15-29-31(19-25)37-35-33(29)27-11-3-4-12-28(27)34-30-16-14-26(20-32(30)38-36(34)35)24-10-6-8-22(2)18-24/h3-5,7,9-20H,6,8H2,1-2H3.
What are the key properties of 6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene?
6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene has a molecular weight of 490.60 g/mol, XLogP of 10.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 70923701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).