9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole

C91H56F6N4 — CID 138700405

IUPAC9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole
SMILESFC(F)(F)c1cc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc(C(F)(F)F)c1-c1cccnc1
InChIInChI=1S/C91H56F6N4/c92-90(93,94)78-52-70(53-79(91(95,96)97)88(78)69-32-19-45-98-56-69)71-54-86(99-80-39-33-63(57-20-7-1-8-21-57)46-72(80)73-47-64(34-40-81(73)99)58-22-9-2-10-23-58)89(101-84-43-37-67(61-28-15-5-16-29-61)50-76(84)77-51-68(38-44-85(77)101)62-30-17-6-18-31-62)87(55-71)100-82-41-35-65(59-24-11-3-12-25-59)48-74(82)75-49-66(36-42-83(75)100)60-26-13-4-14-27-60/h1-56H
InChIKeyGXOBIJGYIQJFMM-UHFFFAOYSA-N
MW1319.46 g/mol
LogP25.75
Rot. Bonds11

About 9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole

9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 138700405) has the molecular formula C91H56F6N4 and a molecular weight of 1319.46 g/mol. Its IUPAC name is 9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole
PubChem CID138700405
Molecular FormulaC91H56F6N4
Molecular Weight1319.46 g/mol
Exact Mass1318.44
IUPAC Name9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole
SMILESFC(F)(F)c1cc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc(C(F)(F)F)c1-c1cccnc1
InChIInChI=1S/C91H56F6N4/c92-90(93,94)78-52-70(53-79(91(95,96)97)88(78)69-32-19-45-98-56-69)71-54-86(99-80-39-33-63(57-20-7-1-8-21-57)46-72(80)73-47-64(34-40-81(73)99)58-22-9-2-10-23-58)89(101-84-43-37-67(61-28-15-5-16-29-61)50-76(84)77-51-68(38-44-85(77)101)62-30-17-6-18-31-62)87(55-71)100-82-41-35-65(59-24-11-3-12-25-59)48-74(82)75-49-66(36-42-83(75)100)60-26-13-4-14-27-60/h1-56H
InChIKeyGXOBIJGYIQJFMM-UHFFFAOYSA-N
XLogP25.75
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001319.46
LogP ≤ 525.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657
3,6-diphenyl-9-[2,4,5-tris(3,6-diphenylcarbazol-9-yl)-3,6-bis(trifluoromethyl)phenyl]carbazole
CID 118615020
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
2-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-pyridin-3-ylphenyl]-1,3-benzoxazole
CID 139533399
9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431504
3-(2,6-diphenyl-10-pyridin-3-ylanthracen-9-yl)-6-isocyano-9-phenylcarbazole
CID 123347422
15-phenyl-4,9-bis(3-pyridin-3-ylcarbazol-9-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137512
3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170285384
9-[4-[5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 59372075
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 138499752
4-[9-[2-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-3-ylphenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 138663207

Frequently Asked Questions

What is the IUPAC name of 9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole (CID 138700405) is 9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole is FC(F)(F)c1cc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc(C(F)(F)F)c1-c1cccnc1.
What is the InChIKey of 9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole?
The InChIKey is GXOBIJGYIQJFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H56F6N4/c92-90(93,94)78-52-70(53-79(91(95,96)97)88(78)69-32-19-45-98-56-69)71-54-86(99-80-39-33-63(57-20-7-1-8-21-57)46-72(80)73-47-64(34-40-81(73)99)58-22-9-2-10-23-58)89(101-84-43-37-67(61-28-15-5-16-29-61)50-76(84)77-51-68(38-44-85(77)101)62-30-17-6-18-31-62)87(55-71)100-82-41-35-65(59-24-11-3-12-25-59)48-74(82)75-49-66(36-42-83(75)100)60-26-13-4-14-27-60/h1-56H.
What are the key properties of 9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole?
9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 1319.46 g/mol, XLogP of 25.75, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 138700405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).