9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole

C81H46F8N6 — CID 142489499

IUPAC9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)c(C(F)(F)F)cc2-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c(F)c1F
InChIInChI=1S/C81H46F8N6/c82-72-71(73(83)75(85)76(86)74(72)84)63-45-70(95-67-43-53(57-27-15-39-92-79(57)49-21-9-3-10-22-49)31-35-61(67)62-36-32-54(44-68(62)95)58-28-16-40-93-80(58)50-23-11-4-12-24-50)64(81(87,88)89)46-69(63)94-65-41-51(55-25-13-37-90-77(55)47-17-5-1-6-18-47)29-33-59(65)60-34-30-52(42-66(60)94)56-26-14-38-91-78(56)48-19-7-2-8-20-48/h1-46H
InChIKeyPRKOEPUYVZWYDC-UHFFFAOYSA-N
MW1255.28 g/mol
LogP22.18
Rot. Bonds11

About 9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole

9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole (PubChem CID 142489499) has the molecular formula C81H46F8N6 and a molecular weight of 1255.28 g/mol. Its IUPAC name is 9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole
PubChem CID142489499
Molecular FormulaC81H46F8N6
Molecular Weight1255.28 g/mol
Exact Mass1254.37
IUPAC Name9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)c(C(F)(F)F)cc2-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c(F)c1F
InChIInChI=1S/C81H46F8N6/c82-72-71(73(83)75(85)76(86)74(72)84)63-45-70(95-67-43-53(57-27-15-39-92-79(57)49-21-9-3-10-22-49)31-35-61(67)62-36-32-54(44-68(62)95)58-28-16-40-93-80(58)50-23-11-4-12-24-50)64(81(87,88)89)46-69(63)94-65-41-51(55-25-13-37-90-77(55)47-17-5-1-6-18-47)29-33-59(65)60-34-30-52(42-66(60)94)56-26-14-38-91-78(56)48-19-7-2-8-20-48/h1-46H
InChIKeyPRKOEPUYVZWYDC-UHFFFAOYSA-N
XLogP22.18
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001255.28
LogP ≤ 522.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole (CID 142489499) is 9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole is Fc1c(F)c(F)c(-c2cc(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)c(C(F)(F)F)cc2-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c(F)c1F.
What is the InChIKey of 9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole?
The InChIKey is PRKOEPUYVZWYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H46F8N6/c82-72-71(73(83)75(85)76(86)74(72)84)63-45-70(95-67-43-53(57-27-15-39-92-79(57)49-21-9-3-10-22-49)31-35-61(67)62-36-32-54(44-68(62)95)58-28-16-40-93-80(58)50-23-11-4-12-24-50)64(81(87,88)89)46-69(63)94-65-41-51(55-25-13-37-90-77(55)47-17-5-1-6-18-47)29-33-59(65)60-34-30-52(42-66(60)94)56-26-14-38-91-78(56)48-19-7-2-8-20-48/h1-46H.
What are the key properties of 9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole?
9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole has a molecular weight of 1255.28 g/mol, XLogP of 22.18, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 142489499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).