15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

C37H22O2 — CID 121477118

IUPAC15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
SMILESc1ccc(C2(c3ccccc3)c3ccc4c(oc5ccccc54)c3-c3c2ccc2oc4ccccc4c32)cc1
InChIInChI=1S/C37H22O2/c1-3-11-23(12-4-1)37(24-13-5-2-6-14-24)28-21-22-32-33(27-16-8-10-18-31(27)38-32)34(28)35-29(37)20-19-26-25-15-7-9-17-30(25)39-36(26)35/h1-22H
InChIKeyOUQCJNJDWHYFTM-UHFFFAOYSA-N
MW498.58 g/mol
LogP9.85
Rot. Bonds2

About 15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (PubChem CID 121477118) has the molecular formula C37H22O2 and a molecular weight of 498.58 g/mol. Its IUPAC name is 15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

Compound Name15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
PubChem CID121477118
Molecular FormulaC37H22O2
Molecular Weight498.58 g/mol
Exact Mass498.16
IUPAC Name15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
SMILESc1ccc(C2(c3ccccc3)c3ccc4c(oc5ccccc54)c3-c3c2ccc2oc4ccccc4c32)cc1
InChIInChI=1S/C37H22O2/c1-3-11-23(12-4-1)37(24-13-5-2-6-14-24)28-21-22-32-33(27-16-8-10-18-31(27)38-32)34(28)35-29(37)20-19-26-25-15-7-9-17-30(25)39-36(26)35/h1-22H
InChIKeyOUQCJNJDWHYFTM-UHFFFAOYSA-N
XLogP9.85
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene with MolForge

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Related Compounds

12-bromo-15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaene
CID 138569699
2-(15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)-4,6-diphenyl-1,3,5-triazine
CID 140939335
2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine
CID 118552995
N-(9,9-diphenylfluoren-4-yl)-N-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164956261
N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine
CID 129130346
9-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
CID 158831418
N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164972233
N-dibenzofuran-3-yl-18,18,21,21-tetramethyl-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 146439890
2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349495
2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140939385
2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
CID 138474933
N,18,18,21,21-pentakis-phenyl-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164754821

Frequently Asked Questions

What is the IUPAC name of 15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?
The IUPAC name of 15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (CID 121477118) is 15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.
What is the SMILES notation for 15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?
The canonical SMILES for 15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is c1ccc(C2(c3ccccc3)c3ccc4c(oc5ccccc54)c3-c3c2ccc2oc4ccccc4c32)cc1.
What is the InChIKey of 15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?
The InChIKey is OUQCJNJDWHYFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22O2/c1-3-11-23(12-4-1)37(24-13-5-2-6-14-24)28-21-22-32-33(27-16-8-10-18-31(27)38-32)34(28)35-29(37)20-19-26-25-15-7-9-17-30(25)39-36(26)35/h1-22H.
What are the key properties of 15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?
15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene has a molecular weight of 498.58 g/mol, XLogP of 9.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 121477118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).