7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene

C46H32O — CID 144854585

IUPAC7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene
SMILESCc1ccccc1-c1ccccc1Cc1cc(-c2ccccc2)c2oc3c(-c4ccccc4)ccc4cccc(c5cccc1c25)c43
InChIInChI=1S/C46H32O/c1-30-14-8-10-21-36(30)37-22-11-9-19-34(37)28-35-29-42(32-17-6-3-7-18-32)46-44-38(35)23-13-25-41(44)40-24-12-20-33-26-27-39(45(47-46)43(33)40)31-15-4-2-5-16-31/h2-27,29H,28H2,1H3
InChIKeyXPJSSJGHPPEUQF-UHFFFAOYSA-N
MW600.76 g/mol
LogP12.79
Rot. Bonds5

About 7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene

7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene (PubChem CID 144854585) has the molecular formula C46H32O and a molecular weight of 600.76 g/mol. Its IUPAC name is 7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene.

Molecular Properties

Compound Name7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene
PubChem CID144854585
Molecular FormulaC46H32O
Molecular Weight600.76 g/mol
Exact Mass600.25
IUPAC Name7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene
SMILESCc1ccccc1-c1ccccc1Cc1cc(-c2ccccc2)c2oc3c(-c4ccccc4)ccc4cccc(c5cccc1c25)c43
InChIInChI=1S/C46H32O/c1-30-14-8-10-21-36(30)37-22-11-9-19-34(37)28-35-29-42(32-17-6-3-7-18-32)46-44-38(35)23-13-25-41(44)40-24-12-20-33-26-27-39(45(47-46)43(33)40)31-15-4-2-5-16-31/h2-27,29H,28H2,1H3
InChIKeyXPJSSJGHPPEUQF-UHFFFAOYSA-N
XLogP12.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene with MolForge

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Related Compounds

7,9,13-triphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene
CID 118145411
8-methyl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 130290646
5-(4-methylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 142315579
2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 159920560
1-(2-methylphenyl)picene
CID 173138076
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
1-methylbenzo[a]anthracene;5-methylchrysene;4-methylphenanthrene;1-methyl-2-phenylbenzene
CID 162099603
4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144661291
10-[(2-methylphenyl)methyl]naphtho[1,2-b][1]benzofuran
CID 157274669
2-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139447245
N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 130466777
7-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 166938715

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene?
The IUPAC name of 7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene (CID 144854585) is 7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene.
What is the SMILES notation for 7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene?
The canonical SMILES for 7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene is Cc1ccccc1-c1ccccc1Cc1cc(-c2ccccc2)c2oc3c(-c4ccccc4)ccc4cccc(c5cccc1c25)c43.
What is the InChIKey of 7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene?
The InChIKey is XPJSSJGHPPEUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32O/c1-30-14-8-10-21-36(30)37-22-11-9-19-34(37)28-35-29-42(32-17-6-3-7-18-32)46-44-38(35)23-13-25-41(44)40-24-12-20-33-26-27-39(45(47-46)43(33)40)31-15-4-2-5-16-31/h2-27,29H,28H2,1H3.
What are the key properties of 7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene?
7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene has a molecular weight of 600.76 g/mol, XLogP of 12.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene is sourced from PubChem (CID 144854585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).