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

C63H39FN6 — CID 163669074

IUPAC3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole
SMILESFc1ccccc1-c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C63H39FN6/c64-54-26-12-7-21-45(54)51-37-42(31-34-50(51)63-66-61(40-17-3-1-4-18-40)65-62(67-63)41-19-5-2-6-20-41)70-59-35-32-43(68-55-27-13-8-22-46(55)47-23-9-14-28-56(47)68)38-52(59)53-39-44(33-36-60(53)70)69-57-29-15-10-24-48(57)49-25-11-16-30-58(49)69/h1-39H
InChIKeyJAYLHPNGCJJZNT-UHFFFAOYSA-N
MW899.05 g/mol
LogP15.97
Rot. Bonds7

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

3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole (PubChem CID 163669074) has the molecular formula C63H39FN6 and a molecular weight of 899.05 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole
PubChem CID163669074
Molecular FormulaC63H39FN6
Molecular Weight899.05 g/mol
Exact Mass898.32
IUPAC Name3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole
SMILESFc1ccccc1-c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C63H39FN6/c64-54-26-12-7-21-45(54)51-37-42(31-34-50(51)63-66-61(40-17-3-1-4-18-40)65-62(67-63)41-19-5-2-6-20-41)70-59-35-32-43(68-55-27-13-8-22-46(55)47-23-9-14-28-56(47)68)38-52(59)53-39-44(33-36-60(53)70)69-57-29-15-10-24-48(57)49-25-11-16-30-58(49)69/h1-39H
InChIKeyJAYLHPNGCJJZNT-UHFFFAOYSA-N
XLogP15.97
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.05
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole
CID 23527810
9-(3-(9H-Carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole
CID 58943284
9-(4-(4,6-diphenyl-1,3,5-triazin-2-yl) phenyl)-N3, N3, N6, N6-tetraphenyl-9H-carbazole-3,6-diamine
CID 90211147
9-(3-(4-(3,5-Di(9H-carbazol-9-yl)phenyl)-6-phenyl-1,3,5-triazin-2-yl)-5-(9H-carbazol-9-yl)phenyl)-9H-carbazole
CID 102593214
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl)tris(9H-carbazole)
CID 118424868
9-(4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl)-3,6-dimethyl-9H-carbazole
CID 118670814
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl) tris(3,6-dimethyl-9H-carbazole)
CID 122212559
4,6-Bis(3-(9H-carbazol-9-yl)phenyl)pyrimidine
CID 71269928
N-(4-fluoro-3-phenylphenyl)-9-phenyl-N-[4-[4-(3-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 129265901
9-[2-[3-[2-[3,6-Bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane
CID 163651179
9-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile
CID 163657911
9-Cyclohexa-1,5-dien-1-yl-3,6-bis(3-fluorocarbazol-9-yl)carbazole
CID 163660190

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole (CID 163669074) is 3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole is Fc1ccccc1-c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole?
The InChIKey is JAYLHPNGCJJZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39FN6/c64-54-26-12-7-21-45(54)51-37-42(31-34-50(51)63-66-61(40-17-3-1-4-18-40)65-62(67-63)41-19-5-2-6-20-41)70-59-35-32-43(68-55-27-13-8-22-46(55)47-23-9-14-28-56(47)68)38-52(59)53-39-44(33-36-60(53)70)69-57-29-15-10-24-48(57)49-25-11-16-30-58(49)69/h1-39H.
What are the key properties of 3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole?
3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole has a molecular weight of 899.05 g/mol, XLogP of 15.97, 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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole is sourced from PubChem (CID 163669074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).