9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole

C61H36F6N4 — CID 88864323

IUPAC9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(F)(F)F)cc6)ccc4n5-c4cccc(-c5ccccn5)c4)ccc32)cc1
InChIInChI=1S/C61H36F6N4/c62-60(63,64)42-19-23-44(24-20-42)69-54-13-3-1-10-47(54)49-33-37(15-27-56(49)69)39-17-29-58-51(35-39)52-36-40(18-30-59(52)71(58)46-9-7-8-41(32-46)53-12-5-6-31-68-53)38-16-28-57-50(34-38)48-11-2-4-14-55(48)70(57)45-25-21-43(22-26-45)61(65,66)67/h1-36H
InChIKeyQHGCKHIEUGUOAA-UHFFFAOYSA-N
MW938.98 g/mol
LogP17.41
Rot. Bonds6

About 9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole

9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole (PubChem CID 88864323) has the molecular formula C61H36F6N4 and a molecular weight of 938.98 g/mol. Its IUPAC name is 9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
PubChem CID88864323
Molecular FormulaC61H36F6N4
Molecular Weight938.98 g/mol
Exact Mass938.28
IUPAC Name9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(F)(F)F)cc6)ccc4n5-c4cccc(-c5ccccn5)c4)ccc32)cc1
InChIInChI=1S/C61H36F6N4/c62-60(63,64)42-19-23-44(24-20-42)69-54-13-3-1-10-47(54)49-33-37(15-27-56(49)69)39-17-29-58-51(35-39)52-36-40(18-30-59(52)71(58)46-9-7-8-41(32-46)53-12-5-6-31-68-53)38-16-28-57-50(34-38)48-11-2-4-14-55(48)70(57)45-25-21-43(22-26-45)61(65,66)67/h1-36H
InChIKeyQHGCKHIEUGUOAA-UHFFFAOYSA-N
XLogP17.41
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.98
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole (CID 88864323) is 9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole is FC(F)(F)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(F)(F)F)cc6)ccc4n5-c4cccc(-c5ccccn5)c4)ccc32)cc1.
What is the InChIKey of 9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is QHGCKHIEUGUOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36F6N4/c62-60(63,64)42-19-23-44(24-20-42)69-54-13-3-1-10-47(54)49-33-37(15-27-56(49)69)39-17-29-58-51(35-39)52-36-40(18-30-59(52)71(58)46-9-7-8-41(32-46)53-12-5-6-31-68-53)38-16-28-57-50(34-38)48-11-2-4-14-55(48)70(57)45-25-21-43(22-26-45)61(65,66)67/h1-36H.
What are the key properties of 9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole?
9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 938.98 g/mol, XLogP of 17.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 88864323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).