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

C63H40F2N6 — CID 138565327

IUPAC2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole
SMILESFc1cc(F)cc(-c2ccc(-n3c4cc(-n5c6c(c7ccccc75)CCC=C6)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C63H40F2N6/c64-42-33-41(34-43(65)35-42)47-30-27-44(36-54(47)63-67-61(39-15-3-1-4-16-39)66-62(68-63)40-17-5-2-6-18-40)71-59-37-45(69-55-23-11-7-19-48(55)49-20-8-12-24-56(49)69)28-31-52(59)53-32-29-46(38-60(53)71)70-57-25-13-9-21-50(57)51-22-10-14-26-58(51)70/h1-9,11-21,23-38H,10,22H2
InChIKeyTZWVIPJSGIVCDE-UHFFFAOYSA-N
MW919.05 g/mol
LogP15.92
Rot. Bonds7

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

2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole (PubChem CID 138565327) has the molecular formula C63H40F2N6 and a molecular weight of 919.05 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole
PubChem CID138565327
Molecular FormulaC63H40F2N6
Molecular Weight919.05 g/mol
Exact Mass918.33
IUPAC Name2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole
SMILESFc1cc(F)cc(-c2ccc(-n3c4cc(-n5c6c(c7ccccc75)CCC=C6)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C63H40F2N6/c64-42-33-41(34-43(65)35-42)47-30-27-44(36-54(47)63-67-61(39-15-3-1-4-16-39)66-62(68-63)40-17-5-2-6-18-40)71-59-37-45(69-55-23-11-7-19-48(55)49-20-8-12-24-56(49)69)28-31-52(59)53-32-29-46(38-60(53)71)70-57-25-13-9-21-50(57)51-22-10-14-26-58(51)70/h1-9,11-21,23-38H,10,22H2
InChIKeyTZWVIPJSGIVCDE-UHFFFAOYSA-N
XLogP15.92
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.05
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole with MolForge

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Related Compounds

2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole
CID 138549332
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(7-phenyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 170082267
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 89338237
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 167261829
9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 174283920

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole (CID 138565327) is 2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole is Fc1cc(F)cc(-c2ccc(-n3c4cc(-n5c6c(c7ccccc75)CCC=C6)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole?
The InChIKey is TZWVIPJSGIVCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40F2N6/c64-42-33-41(34-43(65)35-42)47-30-27-44(36-54(47)63-67-61(39-15-3-1-4-16-39)66-62(68-63)40-17-5-2-6-18-40)71-59-37-45(69-55-23-11-7-19-48(55)49-20-8-12-24-56(49)69)28-31-52(59)53-32-29-46(38-60(53)71)70-57-25-13-9-21-50(57)51-22-10-14-26-58(51)70/h1-9,11-21,23-38H,10,22H2.
What are the key properties of 2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole?
2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole has a molecular weight of 919.05 g/mol, XLogP of 15.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole is sourced from PubChem (CID 138565327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).