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

C63H38F2N6 — CID 138566204

IUPAC3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESFc1cccc(F)c1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C63H38F2N6/c64-51-24-15-25-52(65)60(51)41-30-33-48(63-67-61(39-16-3-1-4-17-39)66-62(68-63)40-18-5-2-6-19-40)59(36-41)71-57-34-31-42(69-53-26-11-7-20-44(53)45-21-8-12-27-54(45)69)37-49(57)50-38-43(32-35-58(50)71)70-55-28-13-9-22-46(55)47-23-10-14-29-56(47)70/h1-38H
InChIKeyAVXLHADWXVVWBL-UHFFFAOYSA-N
MW917.04 g/mol
LogP16.11
Rot. Bonds7

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

3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 138566204) has the molecular formula C63H38F2N6 and a molecular weight of 917.04 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID138566204
Molecular FormulaC63H38F2N6
Molecular Weight917.04 g/mol
Exact Mass916.31
IUPAC Name3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESFc1cccc(F)c1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C63H38F2N6/c64-51-24-15-25-52(65)60(51)41-30-33-48(63-67-61(39-16-3-1-4-17-39)66-62(68-63)40-18-5-2-6-19-40)59(36-41)71-57-34-31-42(69-53-26-11-7-20-44(53)45-21-8-12-27-54(45)69)37-49(57)50-38-43(32-35-58(50)71)70-55-28-13-9-22-46(55)47-23-10-14-29-56(47)70/h1-38H
InChIKeyAVXLHADWXVVWBL-UHFFFAOYSA-N
XLogP16.11
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.04
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-carbazol-9-yl-7-[4-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,4-difluorophenyl]carbazol-9-yl]-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146414957
3-carbazol-9-yl-9-[5-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565341
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549500
9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3,5-dimethylphenyl)carbazole
CID 138566209
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]-3-(4-methylphenyl)carbazole
CID 138549621
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402
3,6-di(carbazol-9-yl)-9-[3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 169059872
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059867
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 138549402
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 138566204) is 3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is Fc1cccc(F)c1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is AVXLHADWXVVWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38F2N6/c64-51-24-15-25-52(65)60(51)41-30-33-48(63-67-61(39-16-3-1-4-17-39)66-62(68-63)40-18-5-2-6-19-40)59(36-41)71-57-34-31-42(69-53-26-11-7-20-44(53)45-21-8-12-27-54(45)69)37-49(57)50-38-43(32-35-58(50)71)70-55-28-13-9-22-46(55)47-23-10-14-29-56(47)70/h1-38H.
What are the key properties of 3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 917.04 g/mol, XLogP of 16.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 138566204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).