9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine

C40H20Br4F12N2 — CID 159441220

IUPAC9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine
SMILESBrBr.FC(F)(F)c1cc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H9Br2F6N.C20H11F6N.Br2/c21-12-1-3-17-15(8-12)16-9-13(22)2-4-18(16)29(17)14-6-10(19(23,24)25)5-11(7-14)20(26,27)28;21-19(22,23)12-9-13(20(24,25)26)11-14(10-12)27-17-7-3-1-5-15(17)16-6-2-4-8-18(16)27;1-2/h1-9H;1-11H;
InChIKeyLSEWANQBCXXUJP-UHFFFAOYSA-N
MW1076.21 g/mol
LogP16.86
Rot. Bonds2

About 9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine

9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine (PubChem CID 159441220) has the molecular formula C40H20Br4F12N2 and a molecular weight of 1076.21 g/mol. Its IUPAC name is 9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine.

Molecular Properties

Compound Name9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine
PubChem CID159441220
Molecular FormulaC40H20Br4F12N2
Molecular Weight1076.21 g/mol
Exact Mass1071.82
IUPAC Name9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine
SMILESBrBr.FC(F)(F)c1cc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H9Br2F6N.C20H11F6N.Br2/c21-12-1-3-17-15(8-12)16-9-13(22)2-4-18(16)29(17)14-6-10(19(23,24)25)5-11(7-14)20(26,27)28;21-19(22,23)12-9-13(20(24,25)26)11-14(10-12)27-17-7-3-1-5-15(17)16-6-2-4-8-18(16)27;1-2/h1-9H;1-11H;
InChIKeyLSEWANQBCXXUJP-UHFFFAOYSA-N
XLogP16.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001076.21
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167107984
3-bromo-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 118087817
2,7-dibromo-9-[4-(trifluoromethyl)phenyl]carbazole
CID 102260661
3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 118087762
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
3-bromo-9-(1-phenylindol-6-yl)carbazole
CID 122666252
CID 147627416
CID 147627416
3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine
CID 161460507
9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
CID 59413518
[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
CID 58687534

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine?
The IUPAC name of 9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine (CID 159441220) is 9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine.
What is the SMILES notation for 9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine?
The canonical SMILES for 9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine is BrBr.FC(F)(F)c1cc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine?
The InChIKey is LSEWANQBCXXUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9Br2F6N.C20H11F6N.Br2/c21-12-1-3-17-15(8-12)16-9-13(22)2-4-18(16)29(17)14-6-10(19(23,24)25)5-11(7-14)20(26,27)28;21-19(22,23)12-9-13(20(24,25)26)11-14(10-12)27-17-7-3-1-5-15(17)16-6-2-4-8-18(16)27;1-2/h1-9H;1-11H;.
What are the key properties of 9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine?
9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine has a molecular weight of 1076.21 g/mol, XLogP of 16.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(trifluoromethyl)phenyl]carbazole;9-[3,5-bis(trifluoromethyl)phenyl]-3,6-dibromocarbazole;molecular bromine is sourced from PubChem (CID 159441220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).