24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C42H25N5O — CID 118488605

IUPAC24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7oc6c54)nc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H25N5O/c1-3-13-26(14-4-1)33-23-34(46-41(45-33)27-15-5-2-6-16-27)28-24-43-42(44-25-28)47-35-21-11-9-19-31(35)37-29-17-7-8-18-30(29)38-32-20-10-12-22-36(32)48-40(38)39(37)47/h1-25H
InChIKeyOLJBCSHUKRTFSU-UHFFFAOYSA-N
MW615.70 g/mol
LogP10.42
Rot. Bonds4

About 24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 118488605) has the molecular formula C42H25N5O and a molecular weight of 615.70 g/mol. Its IUPAC name is 24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID118488605
Molecular FormulaC42H25N5O
Molecular Weight615.70 g/mol
Exact Mass615.21
IUPAC Name24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7oc6c54)nc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H25N5O/c1-3-13-26(14-4-1)33-23-34(46-41(45-33)27-15-5-2-6-16-27)28-24-43-42(44-25-28)47-35-21-11-9-19-31(35)37-29-17-7-8-18-30(29)38-32-20-10-12-22-36(32)48-40(38)39(37)47/h1-25H
InChIKeyOLJBCSHUKRTFSU-UHFFFAOYSA-N
XLogP10.42
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.70
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 118488605) is 24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7oc6c54)nc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is OLJBCSHUKRTFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N5O/c1-3-13-26(14-4-1)33-23-34(46-41(45-33)27-15-5-2-6-16-27)28-24-43-42(44-25-28)47-35-21-11-9-19-31(35)37-29-17-7-8-18-30(29)38-32-20-10-12-22-36(32)48-40(38)39(37)47/h1-25H.
What are the key properties of 24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 615.70 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[5-(2,6-diphenylpyrimidin-4-yl)pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 118488605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).