10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine

C74H52F6N4O2 — CID 139552863

IUPAC10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine
SMILESCC(C)(c1c(-c2ccccc2C(F)(F)F)c(N2c3ccccc3Oc3ccccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C74H52F6N4O2/c1-71(2,83-53-33-13-7-25-45(53)46-26-8-14-34-54(46)83)67-65(49-29-5-11-31-51(49)73(75,76)77)69(81-57-37-17-21-41-61(57)85-62-42-22-18-38-58(62)81)68(72(3,4)84-55-35-15-9-27-47(55)48-28-10-16-36-56(48)84)70(66(67)50-30-6-12-32-52(50)74(78,79)80)82-59-39-19-23-43-63(59)86-64-44-24-20-40-60(64)82/h5-44H,1-4H3
InChIKeyJSQIPTZGWWKUGY-UHFFFAOYSA-N
MW1143.24 g/mol
LogP21.99
Rot. Bonds8

About 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine

10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine (PubChem CID 139552863) has the molecular formula C74H52F6N4O2 and a molecular weight of 1143.24 g/mol. Its IUPAC name is 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine
PubChem CID139552863
Molecular FormulaC74H52F6N4O2
Molecular Weight1143.24 g/mol
Exact Mass1142.40
IUPAC Name10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine
SMILESCC(C)(c1c(-c2ccccc2C(F)(F)F)c(N2c3ccccc3Oc3ccccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C74H52F6N4O2/c1-71(2,83-53-33-13-7-25-45(53)46-26-8-14-34-54(46)83)67-65(49-29-5-11-31-51(49)73(75,76)77)69(81-57-37-17-21-41-61(57)85-62-42-22-18-38-58(62)81)68(72(3,4)84-55-35-15-9-27-47(55)48-28-10-16-36-56(48)84)70(66(67)50-30-6-12-32-52(50)74(78,79)80)82-59-39-19-23-43-63(59)86-64-44-24-20-40-60(64)82/h5-44H,1-4H3
InChIKeyJSQIPTZGWWKUGY-UHFFFAOYSA-N
XLogP21.99
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.24
LogP ≤ 521.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine (CID 139552863) is 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine is CC(C)(c1c(-c2ccccc2C(F)(F)F)c(N2c3ccccc3Oc3ccccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(N2c3ccccc3Oc3ccccc32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21.
What is the InChIKey of 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine?
The InChIKey is JSQIPTZGWWKUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52F6N4O2/c1-71(2,83-53-33-13-7-25-45(53)46-26-8-14-34-54(46)83)67-65(49-29-5-11-31-51(49)73(75,76)77)69(81-57-37-17-21-41-61(57)85-62-42-22-18-38-58(62)81)68(72(3,4)84-55-35-15-9-27-47(55)48-28-10-16-36-56(48)84)70(66(67)50-30-6-12-32-52(50)74(78,79)80)82-59-39-19-23-43-63(59)86-64-44-24-20-40-60(64)82/h5-44H,1-4H3.
What are the key properties of 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine?
10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine has a molecular weight of 1143.24 g/mol, XLogP of 21.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-phenoxazin-10-yl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 139552863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).