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

C69H43N7 — CID 102593214

IUPAC9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C69H43N7/c1-2-20-44(21-3-1)67-70-68(45-38-47(73-59-30-12-4-22-51(59)52-23-5-13-31-60(52)73)42-48(39-45)74-61-32-14-6-24-53(61)54-25-7-15-33-62(54)74)72-69(71-67)46-40-49(75-63-34-16-8-26-55(63)56-27-9-17-35-64(56)75)43-50(41-46)76-65-36-18-10-28-57(65)58-29-11-19-37-66(58)76/h1-43H
InChIKeyXNQXMXOBMDPMNT-UHFFFAOYSA-N
MW970.15 g/mol
LogP17.26
Rot. Bonds7

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

9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 102593214) has the molecular formula C69H43N7 and a molecular weight of 970.15 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID102593214
Molecular FormulaC69H43N7
Molecular Weight970.15 g/mol
Exact Mass969.36
IUPAC Name9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C69H43N7/c1-2-20-44(21-3-1)67-70-68(45-38-47(73-59-30-12-4-22-51(59)52-23-5-13-31-60(52)73)42-48(39-45)74-61-32-14-6-24-53(61)54-25-7-15-33-62(54)74)72-69(71-67)46-40-49(75-63-34-16-8-26-55(63)56-27-9-17-35-64(56)75)43-50(41-46)76-65-36-18-10-28-57(65)58-29-11-19-37-66(58)76/h1-43H
InChIKeyXNQXMXOBMDPMNT-UHFFFAOYSA-N
XLogP17.26
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.15
LogP ≤ 517.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 102593214) is 9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is XNQXMXOBMDPMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N7/c1-2-20-44(21-3-1)67-70-68(45-38-47(73-59-30-12-4-22-51(59)52-23-5-13-31-60(52)73)42-48(39-45)74-61-32-14-6-24-53(61)54-25-7-15-33-62(54)74)72-69(71-67)46-40-49(75-63-34-16-8-26-55(63)56-27-9-17-35-64(56)75)43-50(41-46)76-65-36-18-10-28-57(65)58-29-11-19-37-66(58)76/h1-43H.
What are the key properties of 9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 970.15 g/mol, XLogP of 17.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 102593214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).