14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene

C44H28N6 — CID 90222961

IUPAC14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
SMILESc1ccc(-n2ccc3ccc4ccc5c(c6ccccc6n5-c5cccc(-c6nc(-c7ccccn7)cc(-c7ccccn7)n6)c5)c4c32)cc1
InChIInChI=1S/C44H28N6/c1-2-12-32(13-3-1)49-26-23-30-20-19-29-21-22-40-42(41(29)43(30)49)34-15-4-5-18-39(34)50(40)33-14-10-11-31(27-33)44-47-37(35-16-6-8-24-45-35)28-38(48-44)36-17-7-9-25-46-36/h1-28H
InChIKeyKFEGUVHCBVOXGQ-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.46
Rot. Bonds5

About 14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene

14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene (PubChem CID 90222961) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
PubChem CID90222961
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
SMILESc1ccc(-n2ccc3ccc4ccc5c(c6ccccc6n5-c5cccc(-c6nc(-c7ccccn7)cc(-c7ccccn7)n6)c5)c4c32)cc1
InChIInChI=1S/C44H28N6/c1-2-12-32(13-3-1)49-26-23-30-20-19-29-21-22-40-42(41(29)43(30)49)34-15-4-5-18-39(34)50(40)33-14-10-11-31(27-33)44-47-37(35-16-6-8-24-45-35)28-38(48-44)36-17-7-9-25-46-36/h1-28H
InChIKeyKFEGUVHCBVOXGQ-UHFFFAOYSA-N
XLogP10.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene with MolForge

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Related Compounds

14-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90222949
14-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90222950
14-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene;ethane
CID 144645080
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-14-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90223028
1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
CID 118317427
9,14-bis(3-pyridin-2-ylphenyl)-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 118504672
14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90222968
4-bromo-9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;4-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-9-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
CID 157094301
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 90130563
12-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-18-phenyl-12,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,21]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(21),19,22-undecaene
CID 90223661
3-phenyl-6-[3-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-[4-(4-pyrimidin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole
CID 158707289
4-phenyl-14-(4-phenylisoquinolin-1-yl)-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90223300

Frequently Asked Questions

What is the IUPAC name of 14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
The IUPAC name of 14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene (CID 90222961) is 14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene.
What is the SMILES notation for 14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
The canonical SMILES for 14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene is c1ccc(-n2ccc3ccc4ccc5c(c6ccccc6n5-c5cccc(-c6nc(-c7ccccn7)cc(-c7ccccn7)n6)c5)c4c32)cc1.
What is the InChIKey of 14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
The InChIKey is KFEGUVHCBVOXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-2-12-32(13-3-1)49-26-23-30-20-19-29-21-22-40-42(41(29)43(30)49)34-15-4-5-18-39(34)50(40)33-14-10-11-31(27-33)44-47-37(35-16-6-8-24-45-35)28-38(48-44)36-17-7-9-25-46-36/h1-28H.
What are the key properties of 14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene has a molecular weight of 640.75 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene is sourced from PubChem (CID 90222961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).