1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene

C30H26O2 — CID 100963756

IUPAC1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene
SMILESCC1=C(C)C2(C)OOC1(C)c1c2c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C30H26O2/c1-19-20(2)30(4)28-26(22-15-9-6-10-16-22)24-18-12-11-17-23(24)25(21-13-7-5-8-14-21)27(28)29(19,3)31-32-30/h5-18H,1-4H3
InChIKeyAHOSHUBTGCBAHZ-UHFFFAOYSA-N
MW418.54 g/mol
LogP7.92
Rot. Bonds2

About 1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene

1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene (PubChem CID 100963756) has the molecular formula C30H26O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene.

Molecular Properties

Compound Name1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene
PubChem CID100963756
Molecular FormulaC30H26O2
Molecular Weight418.54 g/mol
Exact Mass418.19
IUPAC Name1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene
SMILESCC1=C(C)C2(C)OOC1(C)c1c2c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C30H26O2/c1-19-20(2)30(4)28-26(22-15-9-6-10-16-22)24-18-12-11-17-23(24)25(21-13-7-5-8-14-21)27(28)29(19,3)31-32-30/h5-18H,1-4H3
InChIKeyAHOSHUBTGCBAHZ-UHFFFAOYSA-N
XLogP7.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene with MolForge

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Related Compounds

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CID 25892
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CID 119118
Alpha,alpha-diphenyl-1-naphthalenemethanol
CID 238209
7-Methylbenz(a)anthracene-12-methanol
CID 11284
rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol
CID 156317
9,10-Diphenylanthracene endoperoxide
CID 167268
1,2-Dihydro-1,2-dihydroxy-5-methylchrysene
CID 49838
Benzo(a)pyrene-9,10-dihydrodiol
CID 32736
(-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene
CID 104889
9,10-Anthracenediol, 9,10-dihydro-9,10-diphenyl-
CID 94976
3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol
CID 108027

Frequently Asked Questions

What is the IUPAC name of 1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene?
The IUPAC name of 1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene (CID 100963756) is 1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene.
What is the SMILES notation for 1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene?
The canonical SMILES for 1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene is CC1=C(C)C2(C)OOC1(C)c1c2c(-c2ccccc2)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene?
The InChIKey is AHOSHUBTGCBAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O2/c1-19-20(2)30(4)28-26(22-15-9-6-10-16-22)24-18-12-11-17-23(24)25(21-13-7-5-8-14-21)27(28)29(19,3)31-32-30/h5-18H,1-4H3.
What are the key properties of 1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene?
1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene has a molecular weight of 418.54 g/mol, XLogP of 7.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12,15,16-tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene is sourced from PubChem (CID 100963756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).