6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene

C51H32N6 — CID 145358031

IUPAC6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccc6c(c5c5cccc(-n7c8ccccc8c8ccccc87)c54)N6c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H32N6/c1-4-15-33(16-5-1)34-27-29-36(30-28-34)50-52-49(35-17-6-2-7-18-35)53-51(54-50)57-43-31-32-45-48(55(45)37-19-8-3-9-20-37)46(43)40-23-14-26-44(47(40)57)56-41-24-12-10-21-38(41)39-22-11-13-25-42(39)56/h1-32H
InChIKeyQRAYKWDASSRKKJ-UHFFFAOYSA-N
MW728.86 g/mol
LogP12.85
Rot. Bonds6

About 6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene

6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene (PubChem CID 145358031) has the molecular formula C51H32N6 and a molecular weight of 728.86 g/mol. Its IUPAC name is 6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene.

Molecular Properties

Compound Name6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene
PubChem CID145358031
Molecular FormulaC51H32N6
Molecular Weight728.86 g/mol
Exact Mass728.27
IUPAC Name6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccc6c(c5c5cccc(-n7c8ccccc8c8ccccc87)c54)N6c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H32N6/c1-4-15-33(16-5-1)34-27-29-36(30-28-34)50-52-49(35-17-6-2-7-18-35)53-51(54-50)57-43-31-32-45-48(55(45)37-19-8-3-9-20-37)46(43)40-23-14-26-44(47(40)57)56-41-24-12-10-21-38(41)39-22-11-13-25-42(39)56/h1-32H
InChIKeyQRAYKWDASSRKKJ-UHFFFAOYSA-N
XLogP12.85
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene?
The IUPAC name of 6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene (CID 145358031) is 6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene.
What is the SMILES notation for 6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene?
The canonical SMILES for 6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccc6c(c5c5cccc(-n7c8ccccc8c8ccccc87)c54)N6c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene?
The InChIKey is QRAYKWDASSRKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N6/c1-4-15-33(16-5-1)34-27-29-36(30-28-34)50-52-49(35-17-6-2-7-18-35)53-51(54-50)57-43-31-32-45-48(55(45)37-19-8-3-9-20-37)46(43)40-23-14-26-44(47(40)57)56-41-24-12-10-21-38(41)39-22-11-13-25-42(39)56/h1-32H.
What are the key properties of 6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene?
6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene has a molecular weight of 728.86 g/mol, XLogP of 12.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene is sourced from PubChem (CID 145358031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).