5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole

C60H36F6N4 — CID 155447657

IUPAC5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C60H36F6N4/c61-59(62,63)42-28-24-37(25-29-42)47-32-41(52-35-51(39-14-4-1-5-15-39)67-58(68-52)40-16-6-2-7-17-40)33-48(38-26-30-43(31-27-38)60(64,65)66)57(47)70-54-23-13-11-21-46(54)50-34-49-45-20-10-12-22-53(45)69(55(49)36-56(50)70)44-18-8-3-9-19-44/h1-36H
InChIKeyQPEWFQAPRXJVBN-UHFFFAOYSA-N
MW926.96 g/mol
LogP17.04
Rot. Bonds7

About 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole

5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 155447657) has the molecular formula C60H36F6N4 and a molecular weight of 926.96 g/mol. Its IUPAC name is 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID155447657
Molecular FormulaC60H36F6N4
Molecular Weight926.96 g/mol
Exact Mass926.28
IUPAC Name5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C60H36F6N4/c61-59(62,63)42-28-24-37(25-29-42)47-32-41(52-35-51(39-14-4-1-5-15-39)67-58(68-52)40-16-6-2-7-17-40)33-48(38-26-30-43(31-27-38)60(64,65)66)57(47)70-54-23-13-11-21-46(54)50-34-49-45-20-10-12-22-53(45)69(55(49)36-56(50)70)44-18-8-3-9-19-44/h1-36H
InChIKeyQPEWFQAPRXJVBN-UHFFFAOYSA-N
XLogP17.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.96
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 158384028
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 160846045
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methylcarbazole
CID 155446598
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 158582590
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 159468823
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 166786535
2,7-di(carbazol-9-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole
CID 146280653
9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-tert-butylcarbazole
CID 156511681
2,6-di(carbazol-9-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole
CID 146280663
6-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 146280528
2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280524
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447143

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole (CID 155447657) is 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole is FC(F)(F)c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is QPEWFQAPRXJVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F6N4/c61-59(62,63)42-28-24-37(25-29-42)47-32-41(52-35-51(39-14-4-1-5-15-39)67-58(68-52)40-16-6-2-7-17-40)33-48(38-26-30-43(31-27-38)60(64,65)66)57(47)70-54-23-13-11-21-46(54)50-34-49-45-20-10-12-22-53(45)69(55(49)36-56(50)70)44-18-8-3-9-19-44/h1-36H.
What are the key properties of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 926.96 g/mol, XLogP of 17.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 155447657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).