2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine

C56H39NO2 — CID 138574166

IUPAC2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine
SMILESCc1ccc(-c2cc(-c3ccc(-c4cccc5c4Oc4cc6c(cc4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)cc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C56H39NO2/c1-36-25-30-44(37(2)31-36)51-33-41(32-50(57-51)40-15-6-3-7-16-40)38-26-28-39(29-27-38)45-22-14-24-52-55(45)59-54-35-49-47(34-53(54)58-52)46-21-12-13-23-48(46)56(49,42-17-8-4-9-18-42)43-19-10-5-11-20-43/h3-35H,1-2H3
InChIKeyVXOHTAPMGBEAJB-UHFFFAOYSA-N
MW757.93 g/mol
LogP14.63
Rot. Bonds6

About 2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine

2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine (PubChem CID 138574166) has the molecular formula C56H39NO2 and a molecular weight of 757.93 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine
PubChem CID138574166
Molecular FormulaC56H39NO2
Molecular Weight757.93 g/mol
Exact Mass757.30
IUPAC Name2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine
SMILESCc1ccc(-c2cc(-c3ccc(-c4cccc5c4Oc4cc6c(cc4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)cc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C56H39NO2/c1-36-25-30-44(37(2)31-36)51-33-41(32-50(57-51)40-15-6-3-7-16-40)38-26-28-39(29-27-38)45-22-14-24-52-55(45)59-54-35-49-47(34-53(54)58-52)46-21-12-13-23-48(46)56(49,42-17-8-4-9-18-42)43-19-10-5-11-20-43/h3-35H,1-2H3
InChIKeyVXOHTAPMGBEAJB-UHFFFAOYSA-N
XLogP14.63
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.93
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine with MolForge

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Related Compounds

4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-2,6-dipyridin-2-ylpyridine
CID 138573850
2-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-4-phenylquinoline
CID 138573853
2-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138573675
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)-4-(4-phenylphenyl)quinazoline
CID 138573837
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine
CID 138575483
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 134272003
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline
CID 138573721
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 163599586
2,4-diphenyl-6-(3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylphenyl)pyrimidine
CID 129309096
9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138573410
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine
CID 138575674
2-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138573974

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine (CID 138574166) is 2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine is Cc1ccc(-c2cc(-c3ccc(-c4cccc5c4Oc4cc6c(cc4O5)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)cc(-c3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine?
The InChIKey is VXOHTAPMGBEAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO2/c1-36-25-30-44(37(2)31-36)51-33-41(32-50(57-51)40-15-6-3-7-16-40)38-26-28-39(29-27-38)45-22-14-24-52-55(45)59-54-35-49-47(34-53(54)58-52)46-21-12-13-23-48(46)56(49,42-17-8-4-9-18-42)43-19-10-5-11-20-43/h3-35H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine?
2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine has a molecular weight of 757.93 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenylpyridine is sourced from PubChem (CID 138574166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).