12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

C61H38F3N5 — CID 146393956

IUPAC12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)ncc2-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc(C(F)(F)F)c1
InChIInChI=1S/C61H38F3N5/c1-37-32-38(34-39(33-37)61(62,63)64)50-35-56(69-54-27-15-11-23-45(54)49-31-29-47-43-21-9-13-25-52(43)67(58(47)60(49)69)41-18-6-3-7-19-41)65-36-55(50)68-53-26-14-10-22-44(53)48-30-28-46-42-20-8-12-24-51(42)66(57(46)59(48)68)40-16-4-2-5-17-40/h2-36H,1H3
InChIKeyICZOJRWXWVUTTN-UHFFFAOYSA-N
MW898.00 g/mol
LogP16.46
Rot. Bonds5

About 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 146393956) has the molecular formula C61H38F3N5 and a molecular weight of 898.00 g/mol. Its IUPAC name is 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID146393956
Molecular FormulaC61H38F3N5
Molecular Weight898.00 g/mol
Exact Mass897.31
IUPAC Name12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)ncc2-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc(C(F)(F)F)c1
InChIInChI=1S/C61H38F3N5/c1-37-32-38(34-39(33-37)61(62,63)64)50-35-56(69-54-27-15-11-23-45(54)49-31-29-47-43-21-9-13-25-52(43)67(58(47)60(49)69)41-18-6-3-7-19-41)65-36-55(50)68-53-26-14-10-22-44(53)48-30-28-46-42-20-8-12-24-51(42)66(57(46)59(48)68)40-16-4-2-5-17-40/h2-36H,1H3
InChIKeyICZOJRWXWVUTTN-UHFFFAOYSA-N
XLogP16.46
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.00
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (CID 146393956) is 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is Cc1cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)ncc2-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc(C(F)(F)F)c1.
What is the InChIKey of 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is ICZOJRWXWVUTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38F3N5/c1-37-32-38(34-39(33-37)61(62,63)64)50-35-56(69-54-27-15-11-23-45(54)49-31-29-47-43-21-9-13-25-52(43)67(58(47)60(49)69)41-18-6-3-7-19-41)65-36-55(50)68-53-26-14-10-22-44(53)48-30-28-46-42-20-8-12-24-51(42)66(57(46)59(48)68)40-16-4-2-5-17-40/h2-36H,1H3.
What are the key properties of 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 898.00 g/mol, XLogP of 16.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 146393956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).