23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene

C46H30N4 — CID 118363329

IUPAC23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3-c3ccccc3N5c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-4-16-31(17-5-1)39-30-43(48-46(47-39)32-18-6-2-7-19-32)50-41-27-15-13-25-38(41)44-42(50)29-28-37-35-23-11-10-22-34(35)36-24-12-14-26-40(36)49(45(37)44)33-20-8-3-9-21-33/h1-30H
InChIKeyAHXZRWVRSIFSTC-UHFFFAOYSA-N
MW638.77 g/mol
LogP12.02
Rot. Bonds4

About 23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene

23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene (PubChem CID 118363329) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene.

Molecular Properties

Compound Name23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene
PubChem CID118363329
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3-c3ccccc3N5c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-4-16-31(17-5-1)39-30-43(48-46(47-39)32-18-6-2-7-19-32)50-41-27-15-13-25-38(41)44-42(50)29-28-37-35-23-11-10-22-34(35)36-24-12-14-26-40(36)49(45(37)44)33-20-8-3-9-21-33/h1-30H
InChIKeyAHXZRWVRSIFSTC-UHFFFAOYSA-N
XLogP12.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene with MolForge

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Related Compounds

9-(3-carbazol-9-ylphenyl)-14-(2,6-diphenylpyrimidin-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937279
9-(2,6-diphenylpyrimidin-4-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 121385468
9-(2-naphthalen-1-yl-6-phenylpyrimidin-4-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937249
9-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(2,6-diphenylpyrimidin-4-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158042486
22-(2,6-diphenylpyrimidin-4-yl)-22-azahexacyclo[12.11.0.02,11.05,10.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 145105436
6-(2,6-diphenylpyrimidin-4-yl)-1,6-diazaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-2(14),3,5(13),7,9,11,15,17,19,21,23,25,27-tridecaene
CID 118331121
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155463086
10-phenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[c]carbazol-11-yl]phenoxazine
CID 134431759
12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 162363133
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
7-(2,6-diphenylpyrimidin-4-yl)-2-phenanthren-9-ylbenzo[c]carbazole
CID 131979584

Frequently Asked Questions

What is the IUPAC name of 23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene?
The IUPAC name of 23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene (CID 118363329) is 23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene.
What is the SMILES notation for 23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene?
The canonical SMILES for 23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene is c1ccc(-c2cc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3-c3ccccc3N5c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene?
The InChIKey is AHXZRWVRSIFSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-4-16-31(17-5-1)39-30-43(48-46(47-39)32-18-6-2-7-19-32)50-41-27-15-13-25-38(41)44-42(50)29-28-37-35-23-11-10-22-34(35)36-24-12-14-26-40(36)49(45(37)44)33-20-8-3-9-21-33/h1-30H.
What are the key properties of 23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene?
23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene has a molecular weight of 638.77 g/mol, XLogP of 12.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaene is sourced from PubChem (CID 118363329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).