5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole

C59H35F3N6 — CID 146199378

IUPAC5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole
SMILESFC(F)(F)c1ccc2c3cc4c5ccccc5n(-c5cc(-c6ccnc(-n7c8ccccc8c8cc9c%10ccccc%10n(-c%10ccccc%10)c9cc87)c6)ccn5)c4cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C59H35F3N6/c60-59(61,62)38-23-24-44-48-33-47-43-19-9-12-22-51(43)68(56(47)35-54(48)66(52(44)31-38)40-15-5-2-6-16-40)58-30-37(26-28-64-58)36-25-27-63-57(29-36)67-50-21-11-8-18-42(50)46-32-45-41-17-7-10-20-49(41)65(53(45)34-55(46)67)39-13-3-1-4-14-39/h1-35H
InChIKeyKFOXODJHLAJCEQ-UHFFFAOYSA-N
MW884.97 g/mol
LogP15.55
Rot. Bonds5

About 5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole

5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole (PubChem CID 146199378) has the molecular formula C59H35F3N6 and a molecular weight of 884.97 g/mol. Its IUPAC name is 5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole
PubChem CID146199378
Molecular FormulaC59H35F3N6
Molecular Weight884.97 g/mol
Exact Mass884.29
IUPAC Name5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole
SMILESFC(F)(F)c1ccc2c3cc4c5ccccc5n(-c5cc(-c6ccnc(-n7c8ccccc8c8cc9c%10ccccc%10n(-c%10ccccc%10)c9cc87)c6)ccn5)c4cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C59H35F3N6/c60-59(61,62)38-23-24-44-48-33-47-43-19-9-12-22-51(43)68(56(47)35-54(48)66(52(44)31-38)40-15-5-2-6-16-40)58-30-37(26-28-64-58)36-25-27-63-57(29-36)67-50-21-11-8-18-42(50)46-32-45-41-17-7-10-20-49(41)65(53(45)34-55(46)67)39-13-3-1-4-14-39/h1-35H
InChIKeyKFOXODJHLAJCEQ-UHFFFAOYSA-N
XLogP15.55
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.97
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole?
The IUPAC name of 5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole (CID 146199378) is 5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole.
What is the SMILES notation for 5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole?
The canonical SMILES for 5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole is FC(F)(F)c1ccc2c3cc4c5ccccc5n(-c5cc(-c6ccnc(-n7c8ccccc8c8cc9c%10ccccc%10n(-c%10ccccc%10)c9cc87)c6)ccn5)c4cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole?
The InChIKey is KFOXODJHLAJCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35F3N6/c60-59(61,62)38-23-24-44-48-33-47-43-19-9-12-22-51(43)68(56(47)35-54(48)66(52(44)31-38)40-15-5-2-6-16-40)58-30-37(26-28-64-58)36-25-27-63-57(29-36)67-50-21-11-8-18-42(50)46-32-45-41-17-7-10-20-49(41)65(53(45)34-55(46)67)39-13-3-1-4-14-39/h1-35H.
What are the key properties of 5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole?
5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole has a molecular weight of 884.97 g/mol, XLogP of 15.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-[4-[2-(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]-2-pyridinyl]-3-(trifluoromethyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 146199378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).