6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene

C36H24O2 — CID 71059027

IUPAC6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
SMILESC1=CCC(c2ccc3oc4c(-c5ccccc5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)C=C1
InChIInChI=1S/C36H24O2/c1-4-10-23(11-5-1)26-16-18-32-28(20-26)30-22-31-29-21-27(24-12-6-2-7-13-24)17-19-33(29)38-36(31)34(35(30)37-32)25-14-8-3-9-15-25/h1-12,14-22,24H,13H2
InChIKeyPRHDCZFKMZBOTN-UHFFFAOYSA-N
MW488.59 g/mol
LogP10.42
Rot. Bonds3

About 6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene

6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene (PubChem CID 71059027) has the molecular formula C36H24O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
PubChem CID71059027
Molecular FormulaC36H24O2
Molecular Weight488.59 g/mol
Exact Mass488.18
IUPAC Name6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
SMILESC1=CCC(c2ccc3oc4c(-c5ccccc5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)C=C1
InChIInChI=1S/C36H24O2/c1-4-10-23(11-5-1)26-16-18-32-28(20-26)30-22-31-29-21-27(24-12-6-2-7-13-24)17-19-33(29)38-36(31)34(35(30)37-32)25-14-8-3-9-15-25/h1-12,14-22,24H,13H2
InChIKeyPRHDCZFKMZBOTN-UHFFFAOYSA-N
XLogP10.42
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene with MolForge

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Related Compounds

4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole
CID 71176031
4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 144583029
7-phenyl-16-[3-(16-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)cyclohexa-1,5-dien-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 143905918
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009511
6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
CID 175970496
3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole
CID 126620697
6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-9-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 163568883
7-methyl-12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 167352098
2,4-dichloro-8-cyclohexa-2,4-dien-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 175627019
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 130212470
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 88568798

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?
The IUPAC name of 6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene (CID 71059027) is 6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene.
What is the SMILES notation for 6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?
The canonical SMILES for 6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene is C1=CCC(c2ccc3oc4c(-c5ccccc5)c5oc6ccc(-c7ccccc7)cc6c5cc4c3c2)C=C1.
What is the InChIKey of 6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?
The InChIKey is PRHDCZFKMZBOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O2/c1-4-10-23(11-5-1)26-16-18-32-28(20-26)30-22-31-29-21-27(24-12-6-2-7-13-24)17-19-33(29)38-36(31)34(35(30)37-32)25-14-8-3-9-15-25/h1-12,14-22,24H,13H2.
What are the key properties of 6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?
6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene has a molecular weight of 488.59 g/mol, XLogP of 10.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene is sourced from PubChem (CID 71059027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).