6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene

C43H28N6 — CID 154646495

IUPAC6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
SMILESc1ccc(-c2cc(-c3ccc4c(c3)nc3n(-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c5n43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H28N6/c1-5-15-29(16-6-1)35-28-36(45-41(44-35)30-17-7-2-8-18-30)31-25-26-39-37(27-31)46-43-48(33-21-11-4-12-22-33)40-34-23-13-14-24-38(34)47(42(40)49(39)43)32-19-9-3-10-20-32/h1-28H
InChIKeyHZMKTZQRKIOICC-UHFFFAOYSA-N
MW628.74 g/mol
LogP10.17
Rot. Bonds5

About 6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene

6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene (PubChem CID 154646495) has the molecular formula C43H28N6 and a molecular weight of 628.74 g/mol. Its IUPAC name is 6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene.

Molecular Properties

Compound Name6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
PubChem CID154646495
Molecular FormulaC43H28N6
Molecular Weight628.74 g/mol
Exact Mass628.24
IUPAC Name6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
SMILESc1ccc(-c2cc(-c3ccc4c(c3)nc3n(-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c5n43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H28N6/c1-5-15-29(16-6-1)35-28-36(45-41(44-35)30-17-7-2-8-18-30)31-25-26-39-37(27-31)46-43-48(33-21-11-4-12-22-33)40-34-23-13-14-24-38(34)47(42(40)49(39)43)32-19-9-3-10-20-32/h1-28H
InChIKeyHZMKTZQRKIOICC-UHFFFAOYSA-N
XLogP10.17
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene with MolForge

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Related Compounds

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
CID 164745048
19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646941
9-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene
CID 154646640
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,9,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 140939547
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
19-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646439
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
The IUPAC name of 6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene (CID 154646495) is 6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene.
What is the SMILES notation for 6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
The canonical SMILES for 6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene is c1ccc(-c2cc(-c3ccc4c(c3)nc3n(-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c5n43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
The InChIKey is HZMKTZQRKIOICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N6/c1-5-15-29(16-6-1)35-28-36(45-41(44-35)30-17-7-2-8-18-30)31-25-26-39-37(27-31)46-43-48(33-21-11-4-12-22-33)40-34-23-13-14-24-38(34)47(42(40)49(39)43)32-19-9-3-10-20-32/h1-28H.
What are the key properties of 6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene has a molecular weight of 628.74 g/mol, XLogP of 10.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene is sourced from PubChem (CID 154646495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).