9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene

C51H32N4 — CID 167285263

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
SMILESc1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5c(-c2nc(-c5ccccc5)nc(-c5ccccc5)n2)cc3n4-c2ccccc2)cc1
InChIInChI=1S/C51H32N4/c1-6-18-33(19-7-1)44-39-29-16-28-38-41(51-53-49(35-22-10-3-11-23-35)52-50(54-51)36-24-12-4-13-25-36)32-43-48(46(38)39)47-40(45(44)34-20-8-2-9-21-34)30-17-31-42(47)55(43)37-26-14-5-15-27-37/h1-32H
InChIKeyBKTGJFXIRBCPBC-UHFFFAOYSA-N
MW700.85 g/mol
LogP12.44
Rot. Bonds6

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene (PubChem CID 167285263) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
PubChem CID167285263
Molecular FormulaC51H32N4
Molecular Weight700.85 g/mol
Exact Mass700.26
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
SMILESc1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5c(-c2nc(-c5ccccc5)nc(-c5ccccc5)n2)cc3n4-c2ccccc2)cc1
InChIInChI=1S/C51H32N4/c1-6-18-33(19-7-1)44-39-29-16-28-38-41(51-53-49(35-22-10-3-11-23-35)52-50(54-51)36-24-12-4-13-25-36)32-43-48(46(38)39)47-40(45(44)34-20-8-2-9-21-34)30-17-31-42(47)55(43)37-26-14-5-15-27-37/h1-32H
InChIKeyBKTGJFXIRBCPBC-UHFFFAOYSA-N
XLogP12.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.85
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene with MolForge

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Related Compounds

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine
CID 167363399
10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 154968751
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 160587571
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-phenyl-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
CID 171043951
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 163606277
2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171437944
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 155473781
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285152
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene (CID 167285263) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene is c1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5c(-c2nc(-c5ccccc5)nc(-c5ccccc5)n2)cc3n4-c2ccccc2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
The InChIKey is BKTGJFXIRBCPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-6-18-33(19-7-1)44-39-29-16-28-38-41(51-53-49(35-22-10-3-11-23-35)52-50(54-51)36-24-12-4-13-25-36)32-43-48(46(38)39)47-40(45(44)34-20-8-2-9-21-34)30-17-31-42(47)55(43)37-26-14-5-15-27-37/h1-32H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene has a molecular weight of 700.85 g/mol, XLogP of 12.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene is sourced from PubChem (CID 167285263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).