5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole

C69H44N6 — CID 129292006

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc5n6-c5ccccc5)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C69H44N6/c1-6-19-45(20-7-1)67-70-68(46-21-8-2-9-22-46)72-69(71-67)57-30-18-32-63-66(57)59-42-48(36-40-62(59)73(63)51-23-10-3-11-24-51)47-35-39-61-58(41-47)56-38-34-50(44-65(56)75(61)53-27-14-5-15-28-53)49-33-37-55-54-29-16-17-31-60(54)74(64(55)43-49)52-25-12-4-13-26-52/h1-44H
InChIKeyURZPYNVUPVSVRY-UHFFFAOYSA-N
MW957.15 g/mol
LogP17.50
Rot. Bonds8

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole (PubChem CID 129292006) has the molecular formula C69H44N6 and a molecular weight of 957.15 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole
PubChem CID129292006
Molecular FormulaC69H44N6
Molecular Weight957.15 g/mol
Exact Mass956.36
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc5n6-c5ccccc5)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C69H44N6/c1-6-19-45(20-7-1)67-70-68(46-21-8-2-9-22-46)72-69(71-67)57-30-18-32-63-66(57)59-42-48(36-40-62(59)73(63)51-23-10-3-11-24-51)47-35-39-61-58(41-47)56-38-34-50(44-65(56)75(61)53-27-14-5-15-28-53)49-33-37-55-54-29-16-17-31-60(54)74(64(55)43-49)52-25-12-4-13-26-52/h1-44H
InChIKeyURZPYNVUPVSVRY-UHFFFAOYSA-N
XLogP17.50
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.15
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole (CID 129292006) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc5n6-c5ccccc5)ccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole?
The InChIKey is URZPYNVUPVSVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N6/c1-6-19-45(20-7-1)67-70-68(46-21-8-2-9-22-46)72-69(71-67)57-30-18-32-63-66(57)59-42-48(36-40-62(59)73(63)51-23-10-3-11-24-51)47-35-39-61-58(41-47)56-38-34-50(44-65(56)75(61)53-27-14-5-15-28-53)49-33-37-55-54-29-16-17-31-60(54)74(64(55)43-49)52-25-12-4-13-26-52/h1-44H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole has a molecular weight of 957.15 g/mol, XLogP of 17.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 129292006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).