24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

C30H17N5O — CID 122525282

IUPAC24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2ccnc(-n3c4c(ccc5nccnc54)c4ccc5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C30H17N5O/c1-2-6-18(7-3-1)23-14-15-33-30(34-23)35-27-20(12-13-24-26(27)32-17-16-31-24)21-10-11-22-19-8-4-5-9-25(19)36-29(22)28(21)35/h1-17H
InChIKeyBPERXYURALSSDX-UHFFFAOYSA-N
MW463.50 g/mol
LogP7.08
Rot. Bonds2

About 24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (PubChem CID 122525282) has the molecular formula C30H17N5O and a molecular weight of 463.50 g/mol. Its IUPAC name is 24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
PubChem CID122525282
Molecular FormulaC30H17N5O
Molecular Weight463.50 g/mol
Exact Mass463.14
IUPAC Name24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2ccnc(-n3c4c(ccc5nccnc54)c4ccc5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C30H17N5O/c1-2-6-18(7-3-1)23-14-15-33-30(34-23)35-27-20(12-13-24-26(27)32-17-16-31-24)21-10-11-22-19-8-4-5-9-25(19)36-29(22)28(21)35/h1-17H
InChIKeyBPERXYURALSSDX-UHFFFAOYSA-N
XLogP7.08
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122525277
24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122525280
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-3-oxa-17,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-(4-phenylpyrimidin-2-yl)-3-oxa-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 157243916
8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848539
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 164757797
5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163673833
15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174350700
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,17,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122524114
12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 90085604
11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene
CID 129141922
15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129141926

Frequently Asked Questions

What is the IUPAC name of 24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (CID 122525282) is 24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is c1ccc(-c2ccnc(-n3c4c(ccc5nccnc54)c4ccc5c6ccccc6oc5c43)n2)cc1.
What is the InChIKey of 24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The InChIKey is BPERXYURALSSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N5O/c1-2-6-18(7-3-1)23-14-15-33-30(34-23)35-27-20(12-13-24-26(27)32-17-16-31-24)21-10-11-22-19-8-4-5-9-25(19)36-29(22)28(21)35/h1-17H.
What are the key properties of 24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene has a molecular weight of 463.50 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 122525282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).