bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone

C65H34F12N4O — CID 142301685

IUPACbis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2c3ccccc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)ccc32)cc1
InChIInChI=1S/C65H34F12N4O/c66-62(67,68)37-13-23-47-48-24-14-38(63(69,70)71)30-58(48)80(57(47)29-37)43-21-27-55-51(33-43)45-5-1-3-7-53(45)78(55)41-17-9-35(10-18-41)61(82)36-11-19-42(20-12-36)79-54-8-4-2-6-46(54)52-34-44(22-28-56(52)79)81-59-31-39(64(72,73)74)15-25-49(59)50-26-16-40(32-60(50)81)65(75,76)77/h1-34H
InChIKeyJVPVNJUVNQKFAR-UHFFFAOYSA-N
MW1114.99 g/mol
LogP19.38
Rot. Bonds6

About bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone

bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone (PubChem CID 142301685) has the molecular formula C65H34F12N4O and a molecular weight of 1114.99 g/mol. Its IUPAC name is bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone
PubChem CID142301685
Molecular FormulaC65H34F12N4O
Molecular Weight1114.99 g/mol
Exact Mass1114.25
IUPAC Namebis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2c3ccccc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)ccc32)cc1
InChIInChI=1S/C65H34F12N4O/c66-62(67,68)37-13-23-47-48-24-14-38(63(69,70)71)30-58(48)80(57(47)29-37)43-21-27-55-51(33-43)45-5-1-3-7-53(45)78(55)41-17-9-35(10-18-41)61(82)36-11-19-42(20-12-36)79-54-8-4-2-6-46(54)52-34-44(22-28-56(52)79)81-59-31-39(64(72,73)74)15-25-49(59)50-26-16-40(32-60(50)81)65(75,76)77/h1-34H
InChIKeyJVPVNJUVNQKFAR-UHFFFAOYSA-N
XLogP19.38
TPSA36.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001114.99
LogP ≤ 519.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone?
The IUPAC name of bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone (CID 142301685) is bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone.
What is the SMILES notation for bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone?
The canonical SMILES for bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone is O=C(c1ccc(-n2c3ccccc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)ccc32)cc1.
What is the InChIKey of bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone?
The InChIKey is JVPVNJUVNQKFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H34F12N4O/c66-62(67,68)37-13-23-47-48-24-14-38(63(69,70)71)30-58(48)80(57(47)29-37)43-21-27-55-51(33-43)45-5-1-3-7-53(45)78(55)41-17-9-35(10-18-41)61(82)36-11-19-42(20-12-36)79-54-8-4-2-6-46(54)52-34-44(22-28-56(52)79)81-59-31-39(64(72,73)74)15-25-49(59)50-26-16-40(32-60(50)81)65(75,76)77/h1-34H.
What are the key properties of bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone?
bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone has a molecular weight of 1114.99 g/mol, XLogP of 19.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]carbazol-9-yl]phenyl]methanone is sourced from PubChem (CID 142301685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).