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

C61H38F3N5 — CID 146393961

IUPAC12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)ncc2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(C(F)(F)F)c1
InChIInChI=1S/C61H38F3N5/c1-37-32-38(34-39(33-37)61(62,63)64)48-35-56(69-50-25-13-9-21-43(50)45-29-31-54-58(60(45)69)47-23-11-15-27-52(47)67(54)41-18-6-3-7-19-41)65-36-55(48)68-49-24-12-8-20-42(49)44-28-30-53-57(59(44)68)46-22-10-14-26-51(46)66(53)40-16-4-2-5-17-40/h2-36H,1H3
InChIKeyOEZCWDKNFUPAPQ-UHFFFAOYSA-N
MW898.00 g/mol
LogP16.46
Rot. Bonds5

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

12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 146393961) 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-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID146393961
Molecular FormulaC61H38F3N5
Molecular Weight898.00 g/mol
Exact Mass897.31
IUPAC Name12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)ncc2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(C(F)(F)F)c1
InChIInChI=1S/C61H38F3N5/c1-37-32-38(34-39(33-37)61(62,63)64)48-35-56(69-50-25-13-9-21-43(50)45-29-31-54-58(60(45)69)47-23-11-15-27-52(47)67(54)41-18-6-3-7-19-41)65-36-55(48)68-49-24-12-8-20-42(49)44-28-30-53-57(59(44)68)46-22-10-14-26-51(46)66(53)40-16-4-2-5-17-40/h2-36H,1H3
InChIKeyOEZCWDKNFUPAPQ-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-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole (CID 146393961) is 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole is Cc1cc(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)ncc2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(C(F)(F)F)c1.
What is the InChIKey of 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is OEZCWDKNFUPAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38F3N5/c1-37-32-38(34-39(33-37)61(62,63)64)48-35-56(69-50-25-13-9-21-43(50)45-29-31-54-58(60(45)69)47-23-11-15-27-52(47)67(54)41-18-6-3-7-19-41)65-36-55(48)68-49-24-12-8-20-42(49)44-28-30-53-57(59(44)68)46-22-10-14-26-51(46)66(53)40-16-4-2-5-17-40/h2-36H,1H3.
What are the key properties of 12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole?
12-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]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-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 146393961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).