3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol

C56H36O2 — CID 123581976

IUPAC3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol
SMILESOc1c(O)c2c3ccccc3c1c1c(-c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3-c3ccccc3)c21
InChIInChI=1S/C56H36O2/c57-55-51-43-27-15-16-28-44(43)52(56(55)58)54-50(46-32-30-40(36-19-7-2-8-20-36)34-48(46)38-23-11-4-12-24-38)42-26-14-13-25-41(42)49(53(51)54)45-31-29-39(35-17-5-1-6-18-35)33-47(45)37-21-9-3-10-22-37/h1-34,57-58H
InChIKeyYGTKEMXBTYFPQG-UHFFFAOYSA-N
MW740.90 g/mol
LogP15.15
Rot. Bonds6

About 3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol

3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol (PubChem CID 123581976) has the molecular formula C56H36O2 and a molecular weight of 740.90 g/mol. Its IUPAC name is 3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol.

Molecular Properties

Compound Name3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol
PubChem CID123581976
Molecular FormulaC56H36O2
Molecular Weight740.90 g/mol
Exact Mass740.27
IUPAC Name3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol
SMILESOc1c(O)c2c3ccccc3c1c1c(-c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3-c3ccccc3)c21
InChIInChI=1S/C56H36O2/c57-55-51-43-27-15-16-28-44(43)52(56(55)58)54-50(46-32-30-40(36-19-7-2-8-20-36)34-48(46)38-23-11-4-12-24-38)42-26-14-13-25-41(42)49(53(51)54)45-31-29-39(35-17-5-1-6-18-35)33-47(45)37-21-9-3-10-22-37/h1-34,57-58H
InChIKeyYGTKEMXBTYFPQG-UHFFFAOYSA-N
XLogP15.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.90
LogP ≤ 515.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol with MolForge

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Related Compounds

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9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
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CID 135036112
1,2,4-triphenylbenzene
CID 518325
N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
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9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 169062049
9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene
CID 59459841
9-(2,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene
CID 159937267

Frequently Asked Questions

What is the IUPAC name of 3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol?
The IUPAC name of 3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol (CID 123581976) is 3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol.
What is the SMILES notation for 3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol?
The canonical SMILES for 3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol is Oc1c(O)c2c3ccccc3c1c1c(-c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3-c3ccccc3)c21.
What is the InChIKey of 3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol?
The InChIKey is YGTKEMXBTYFPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36O2/c57-55-51-43-27-15-16-28-44(43)52(56(55)58)54-50(46-32-30-40(36-19-7-2-8-20-36)34-48(46)38-23-11-4-12-24-38)42-26-14-13-25-41(42)49(53(51)54)45-31-29-39(35-17-5-1-6-18-35)33-47(45)37-21-9-3-10-22-37/h1-34,57-58H.
What are the key properties of 3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol?
3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol has a molecular weight of 740.90 g/mol, XLogP of 15.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(2,4-diphenylphenyl)pentacyclo[10.6.2.02,11.04,9.013,18]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene-19,20-diol is sourced from PubChem (CID 123581976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).