19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

C51H37N3O — CID 118892075

IUPAC19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESCc1cc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2cc3oc5ccccc5c3cc2-4)c(C)cc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C51H37N3O/c1-30-24-46(31(2)23-36(30)50-52-43(32-15-7-5-8-16-32)29-44(53-50)33-17-9-6-10-18-33)54-45-21-13-11-19-34(45)39-25-37-38-26-40-35-20-12-14-22-48(35)55-49(40)28-42(38)51(3,4)41(37)27-47(39)54/h5-29H,1-4H3
InChIKeyKHJRTBCWWZPPNB-UHFFFAOYSA-N
MW707.88 g/mol
LogP13.40
Rot. Bonds4

About 19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 118892075) has the molecular formula C51H37N3O and a molecular weight of 707.88 g/mol. Its IUPAC name is 19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
PubChem CID118892075
Molecular FormulaC51H37N3O
Molecular Weight707.88 g/mol
Exact Mass707.29
IUPAC Name19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESCc1cc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2cc3oc5ccccc5c3cc2-4)c(C)cc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C51H37N3O/c1-30-24-46(31(2)23-36(30)50-52-43(32-15-7-5-8-16-32)29-44(53-50)33-17-9-6-10-18-33)54-45-21-13-11-19-34(45)39-25-37-38-26-40-35-20-12-14-22-48(35)55-49(40)28-42(38)51(3,4)41(37)27-47(39)54/h5-29H,1-4H3
InChIKeyKHJRTBCWWZPPNB-UHFFFAOYSA-N
XLogP13.40
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.88
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene with MolForge

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Related Compounds

23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene
CID 161294064
15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 159641509
7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 158381468
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223402
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459492
15,15-dimethyl-19-(4-quinoxalin-2-ylphenyl)-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118892073
15,15-dimethyl-19-[4-(4-methylphenyl)phenyl]-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118891844
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole
CID 67574346
10-[5-(2,6-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223705
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602384
7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126631014
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639

Frequently Asked Questions

What is the IUPAC name of 19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The IUPAC name of 19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (CID 118892075) is 19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.
What is the SMILES notation for 19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The canonical SMILES for 19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is Cc1cc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2cc3oc5ccccc5c3cc2-4)c(C)cc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The InChIKey is KHJRTBCWWZPPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3O/c1-30-24-46(31(2)23-36(30)50-52-43(32-15-7-5-8-16-32)29-44(53-50)33-17-9-6-10-18-33)54-45-21-13-11-19-34(45)39-25-37-38-26-40-35-20-12-14-22-48(35)55-49(40)28-42(38)51(3,4)41(37)27-47(39)54/h5-29H,1-4H3.
What are the key properties of 19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 707.88 g/mol, XLogP of 13.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 118892075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).