14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

C60H39N5 — CID 146390263

IUPAC14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5-c5ccccc5-n5c4nc4ccccc45)cc3)cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C60H39N5/c1-4-19-41(20-5-1)58-61-52(39-53(62-58)48-28-18-30-50-57(48)47-27-10-13-29-49(47)60(50,42-21-6-2-7-22-42)43-23-8-3-9-24-43)40-35-37-44(38-36-40)64-54-32-15-11-25-45(54)46-26-12-16-33-55(46)65-56-34-17-14-31-51(56)63-59(64)65/h1-39H
InChIKeyWVDQQPSHLIDBAS-UHFFFAOYSA-N
MW830.01 g/mol
LogP14.63
Rot. Bonds6

About 14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (PubChem CID 146390263) has the molecular formula C60H39N5 and a molecular weight of 830.01 g/mol. Its IUPAC name is 14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.

Molecular Properties

Compound Name14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
PubChem CID146390263
Molecular FormulaC60H39N5
Molecular Weight830.01 g/mol
Exact Mass829.32
IUPAC Name14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5-c5ccccc5-n5c4nc4ccccc45)cc3)cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C60H39N5/c1-4-19-41(20-5-1)58-61-52(39-53(62-58)48-28-18-30-50-57(48)47-27-10-13-29-49(47)60(50,42-21-6-2-7-22-42)43-23-8-3-9-24-43)40-35-37-44(38-36-40)64-54-32-15-11-25-45(54)46-26-12-16-33-55(46)65-56-34-17-14-31-51(56)63-59(64)65/h1-39H
InChIKeyWVDQQPSHLIDBAS-UHFFFAOYSA-N
XLogP14.63
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.01
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene with MolForge

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Related Compounds

14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 142397344
14-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 142397265
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
CID 153452880
14-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 146390552
14-[3-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-ylphenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 146390366
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168779870
4-(2,6-diphenylpyrimidin-4-yl)-11,11-diphenylindolo[1,2-a]benzimidazole
CID 162484029
14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
CID 146390254
4-(9,9-diphenylfluoren-4-yl)-2-[11-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165151100
9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole
CID 146183278
17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
CID 146390424
4-(4-dibenzothiophen-1-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603974

Frequently Asked Questions

What is the IUPAC name of 14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
The IUPAC name of 14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (CID 146390263) is 14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.
What is the SMILES notation for 14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
The canonical SMILES for 14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is c1ccc(-c2nc(-c3ccc(N4c5ccccc5-c5ccccc5-n5c4nc4ccccc45)cc3)cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
The InChIKey is WVDQQPSHLIDBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N5/c1-4-19-41(20-5-1)58-61-52(39-53(62-58)48-28-18-30-50-57(48)47-27-10-13-29-49(47)60(50,42-21-6-2-7-22-42)43-23-8-3-9-24-43)40-35-37-44(38-36-40)64-54-32-15-11-25-45(54)46-26-12-16-33-55(46)65-56-34-17-14-31-51(56)63-59(64)65/h1-39H.
What are the key properties of 14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene has a molecular weight of 830.01 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is sourced from PubChem (CID 146390263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).