6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene

C38H30O2 — CID 102507798

IUPAC6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
SMILESCc1cc2ccc3ccc4ccc5cc(C)c(OCc6ccccc6)cc5c4c3c2cc1OCc1ccccc1
InChIInChI=1S/C38H30O2/c1-25-19-31-17-15-29-13-14-30-16-18-32-20-26(2)36(40-24-28-11-7-4-8-12-28)22-34(32)38(30)37(29)33(31)21-35(25)39-23-27-9-5-3-6-10-27/h3-22H,23-24H2,1-2H3
InChIKeyCHLDSXUIQGFWCB-UHFFFAOYSA-N
MW518.66 g/mol
LogP10.07
Rot. Bonds6

About 6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene

6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene (PubChem CID 102507798) has the molecular formula C38H30O2 and a molecular weight of 518.66 g/mol. Its IUPAC name is 6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene.

Molecular Properties

Compound Name6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
PubChem CID102507798
Molecular FormulaC38H30O2
Molecular Weight518.66 g/mol
Exact Mass518.22
IUPAC Name6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
SMILESCc1cc2ccc3ccc4ccc5cc(C)c(OCc6ccccc6)cc5c4c3c2cc1OCc1ccccc1
InChIInChI=1S/C38H30O2/c1-25-19-31-17-15-29-13-14-30-16-18-32-20-26(2)36(40-24-28-11-7-4-8-12-28)22-34(32)38(30)37(29)33(31)21-35(25)39-23-27-9-5-3-6-10-27/h3-22H,23-24H2,1-2H3
InChIKeyCHLDSXUIQGFWCB-UHFFFAOYSA-N
XLogP10.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene with MolForge

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Related Compounds

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2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
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16-methoxy-8-phenylmethoxy-22-azapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaene
CID 21258234
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
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2-bromo-4-methyl-5-phenylmethoxypyridine
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Frequently Asked Questions

What is the IUPAC name of 6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene?
The IUPAC name of 6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene (CID 102507798) is 6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene.
What is the SMILES notation for 6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene?
The canonical SMILES for 6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene is Cc1cc2ccc3ccc4ccc5cc(C)c(OCc6ccccc6)cc5c4c3c2cc1OCc1ccccc1.
What is the InChIKey of 6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene?
The InChIKey is CHLDSXUIQGFWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30O2/c1-25-19-31-17-15-29-13-14-30-16-18-32-20-26(2)36(40-24-28-11-7-4-8-12-28)22-34(32)38(30)37(29)33(31)21-35(25)39-23-27-9-5-3-6-10-27/h3-22H,23-24H2,1-2H3.
What are the key properties of 6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene?
6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene has a molecular weight of 518.66 g/mol, XLogP of 10.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene is sourced from PubChem (CID 102507798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).