9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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

C52H32N4O — CID 140937328

IUPAC9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cc(-c7ccccc7)c7oc8ccccc8c7c6)c5ccc43)n2)cc1
InChIInChI=1S/C52H32N4O/c1-4-16-33(17-5-1)40-30-36(31-41-37-22-12-15-27-48(37)57-51(40)41)55-44-25-13-10-23-38(44)49-46(55)28-29-47-50(49)39-24-11-14-26-45(39)56(47)52-53-42(34-18-6-2-7-19-34)32-43(54-52)35-20-8-3-9-21-35/h1-32H
InChIKeyFSDITRZYVRQXIF-UHFFFAOYSA-N
MW728.86 g/mol
LogP13.57
Rot. Bonds5

About 9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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

9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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 (PubChem CID 140937328) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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.

Molecular Properties

Compound Name9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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
PubChem CID140937328
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cc(-c7ccccc7)c7oc8ccccc8c7c6)c5ccc43)n2)cc1
InChIInChI=1S/C52H32N4O/c1-4-16-33(17-5-1)40-30-36(31-41-37-22-12-15-27-48(37)57-51(40)41)55-44-25-13-10-23-38(44)49-46(55)28-29-47-50(49)39-24-11-14-26-45(39)56(47)52-53-42(34-18-6-2-7-19-34)32-43(54-52)35-20-8-3-9-21-35/h1-32H
InChIKeyFSDITRZYVRQXIF-UHFFFAOYSA-N
XLogP13.57
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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 with MolForge

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Related Compounds

10-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 140957222
9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556028
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 118922865
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole
CID 168809412
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-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-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-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
CID 158667209
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-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 140937291
9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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 121385469
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 168809458
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
7-(4-phenyldibenzofuran-2-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 168809556
25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene
CID 129142368
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 161237045

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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?
The IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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 140937328) is 9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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.
What is the SMILES notation for 9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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?
The canonical SMILES for 9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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 is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cc(-c7ccccc7)c7oc8ccccc8c7c6)c5ccc43)n2)cc1.
What is the InChIKey of 9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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?
The InChIKey is FSDITRZYVRQXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-4-16-33(17-5-1)40-30-36(31-41-37-22-12-15-27-48(37)57-51(40)41)55-44-25-13-10-23-38(44)49-46(55)28-29-47-50(49)39-24-11-14-26-45(39)56(47)52-53-42(34-18-6-2-7-19-34)32-43(54-52)35-20-8-3-9-21-35/h1-32H.
What are the key properties of 9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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?
9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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 has a molecular weight of 728.86 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-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 is sourced from PubChem (CID 140937328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).