3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile

C59H30F12N4O — CID 137369017

IUPAC3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(N2c3ccccc3Oc3ccccc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c1-c1ccccc1
InChIInChI=1S/C59H30F12N4O/c60-56(61,62)34-19-23-38-39-24-20-35(57(63,64)65)28-46(39)74(45(38)27-34)53-51(32-11-3-1-4-12-32)42(31-72)52(33-13-5-2-6-14-33)54(55(53)73-43-15-7-9-17-49(43)76-50-18-10-8-16-44(50)73)75-47-29-36(58(66,67)68)21-25-40(47)41-26-22-37(30-48(41)75)59(69,70)71/h1-30H
InChIKeyISNGNERMSCFNPY-UHFFFAOYSA-N
MW1038.89 g/mol
LogP18.74
Rot. Bonds5

About 3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile

3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile (PubChem CID 137369017) has the molecular formula C59H30F12N4O and a molecular weight of 1038.89 g/mol. Its IUPAC name is 3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile.

Molecular Properties

Compound Name3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile
PubChem CID137369017
Molecular FormulaC59H30F12N4O
Molecular Weight1038.89 g/mol
Exact Mass1038.22
IUPAC Name3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(N2c3ccccc3Oc3ccccc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c1-c1ccccc1
InChIInChI=1S/C59H30F12N4O/c60-56(61,62)34-19-23-38-39-24-20-35(57(63,64)65)28-46(39)74(45(38)27-34)53-51(32-11-3-1-4-12-32)42(31-72)52(33-13-5-2-6-14-33)54(55(53)73-43-15-7-9-17-49(43)76-50-18-10-8-16-44(50)73)75-47-29-36(58(66,67)68)21-25-40(47)41-26-22-37(30-48(41)75)59(69,70)71/h1-30H
InChIKeyISNGNERMSCFNPY-UHFFFAOYSA-N
XLogP18.74
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001038.89
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile?
The IUPAC name of 3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile (CID 137369017) is 3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile.
What is the SMILES notation for 3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile?
The canonical SMILES for 3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile is N#Cc1c(-c2ccccc2)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(N2c3ccccc3Oc3ccccc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c1-c1ccccc1.
What is the InChIKey of 3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile?
The InChIKey is ISNGNERMSCFNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H30F12N4O/c60-56(61,62)34-19-23-38-39-24-20-35(57(63,64)65)28-46(39)74(45(38)27-34)53-51(32-11-3-1-4-12-32)42(31-72)52(33-13-5-2-6-14-33)54(55(53)73-43-15-7-9-17-49(43)76-50-18-10-8-16-44(50)73)75-47-29-36(58(66,67)68)21-25-40(47)41-26-22-37(30-48(41)75)59(69,70)71/h1-30H.
What are the key properties of 3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile?
3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile has a molecular weight of 1038.89 g/mol, XLogP of 18.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile is sourced from PubChem (CID 137369017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).