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

C82H50F6N6 — CID 142502074

IUPAC9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)cc2-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1
InChIInChI=1S/C82H50F6N6/c83-81(84,85)64-23-13-22-59(40-64)65-45-80(94-77-38-30-57(62-26-34-73(91-49-62)53-18-9-3-10-19-53)43-68(77)69-44-58(31-39-78(69)94)63-27-35-74(92-50-63)54-20-11-4-12-21-54)70(82(86,87)88)46-79(65)93-75-36-28-55(60-24-32-71(89-47-60)51-14-5-1-6-15-51)41-66(75)67-42-56(29-37-76(67)93)61-25-33-72(90-48-61)52-16-7-2-8-17-52/h1-50H
InChIKeyLLKHFIKVCMHAHV-UHFFFAOYSA-N
MW1233.33 g/mol
LogP22.50
Rot. Bonds11

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

9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole (PubChem CID 142502074) has the molecular formula C82H50F6N6 and a molecular weight of 1233.33 g/mol. Its IUPAC name is 9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole
PubChem CID142502074
Molecular FormulaC82H50F6N6
Molecular Weight1233.33 g/mol
Exact Mass1232.40
IUPAC Name9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)cc2-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1
InChIInChI=1S/C82H50F6N6/c83-81(84,85)64-23-13-22-59(40-64)65-45-80(94-77-38-30-57(62-26-34-73(91-49-62)53-18-9-3-10-19-53)43-68(77)69-44-58(31-39-78(69)94)63-27-35-74(92-50-63)54-20-11-4-12-21-54)70(82(86,87)88)46-79(65)93-75-36-28-55(60-24-32-71(89-47-60)51-14-5-1-6-15-51)41-66(75)67-42-56(29-37-76(67)93)61-25-33-72(90-48-61)52-16-7-2-8-17-52/h1-50H
InChIKeyLLKHFIKVCMHAHV-UHFFFAOYSA-N
XLogP22.50
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.33
LogP ≤ 522.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole with MolForge

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Related Compounds

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CID 127029328
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2-[2-[4-[1-[2-(7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium dichloride
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5,9-Dimethyl-2-[1-[3-(3-methylbutyl)phenyl]indol-6-yl]phenanthridin-5-ium chloride
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Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole (CID 142502074) is 9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole is FC(F)(F)c1cccc(-c2cc(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)cc2-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.
What is the InChIKey of 9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole?
The InChIKey is LLKHFIKVCMHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50F6N6/c83-81(84,85)64-23-13-22-59(40-64)65-45-80(94-77-38-30-57(62-26-34-73(91-49-62)53-18-9-3-10-19-53)43-68(77)69-44-58(31-39-78(69)94)63-27-35-74(92-50-63)54-20-11-4-12-21-54)70(82(86,87)88)46-79(65)93-75-36-28-55(60-24-32-71(89-47-60)51-14-5-1-6-15-51)41-66(75)67-42-56(29-37-76(67)93)61-25-33-72(90-48-61)52-16-7-2-8-17-52/h1-50H.
What are the key properties of 9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole?
9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole has a molecular weight of 1233.33 g/mol, XLogP of 22.50, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 142502074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).