(13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene

C35H26O2 — CID 11733511

IUPAC(13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
SMILESc1ccc([C@H]2C[C@H](c3ccccc3)Oc3ccc4ccccc4c3-c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C35H26O2/c1-3-13-26(14-4-1)32-23-33(27-15-5-2-6-16-27)37-31-22-20-25-12-8-10-18-29(25)35(31)34-28-17-9-7-11-24(28)19-21-30(34)36-32/h1-22,32-33H,23H2/t32-,33-/m1/s1
InChIKeyHSFPECOSHSLCFU-CZNDPXEESA-N
MW478.59 g/mol
LogP9.30
Rot. Bonds2

About (13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene

(13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene (PubChem CID 11733511) has the molecular formula C35H26O2 and a molecular weight of 478.59 g/mol. Its IUPAC name is (13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene.

Molecular Properties

Compound Name(13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
PubChem CID11733511
Molecular FormulaC35H26O2
Molecular Weight478.59 g/mol
Exact Mass478.19
IUPAC Name(13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
SMILESc1ccc([C@H]2C[C@H](c3ccccc3)Oc3ccc4ccccc4c3-c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C35H26O2/c1-3-13-26(14-4-1)32-23-33(27-15-5-2-6-16-27)37-31-22-20-25-12-8-10-18-29(25)35(31)34-28-17-9-7-11-24(28)19-21-30(34)36-32/h1-22,32-33H,23H2/t32-,33-/m1/s1
InChIKeyHSFPECOSHSLCFU-CZNDPXEESA-N
XLogP9.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene with MolForge

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Related Compounds

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CID 11477920
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CID 139362841
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CID 15828390
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CID 101060260
hydron;13,13'-spirobi[12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]
CID 134904349
12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite
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Frequently Asked Questions

What is the IUPAC name of (13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?
The IUPAC name of (13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene (CID 11733511) is (13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene.
What is the SMILES notation for (13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?
The canonical SMILES for (13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene is c1ccc([C@H]2C[C@H](c3ccccc3)Oc3ccc4ccccc4c3-c3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of (13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?
The InChIKey is HSFPECOSHSLCFU-CZNDPXEESA-N. The full InChI is InChI=1S/C35H26O2/c1-3-13-26(14-4-1)32-23-33(27-15-5-2-6-16-27)37-31-22-20-25-12-8-10-18-29(25)35(31)34-28-17-9-7-11-24(28)19-21-30(34)36-32/h1-22,32-33H,23H2/t32-,33-/m1/s1.
What are the key properties of (13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?
(13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene has a molecular weight of 478.59 g/mol, XLogP of 9.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene is sourced from PubChem (CID 11733511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).