3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride

C49H39Br4FN2 — CID 159380291

IUPAC3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
SMILESBrc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Brc1ccc(Br)cc1.Brc1ccc2c(c1)c1ccccc1n2-c1ccccc1.C.F.[H][2H]
InChIInChI=1S/C24H16BrN.C18H12BrN.C6H4Br2.CH4.FH.H2/c25-19-13-10-17(11-14-19)18-12-15-24-22(16-18)21-8-4-5-9-23(21)26(24)20-6-2-1-3-7-20;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;7-5-1-2-6(8)4-3-5;;;/h1-16H;1-12H;1-4H;1H4;2*1H/i;;;;;1+1
InChIKeyLKVAAMFWNZRLIQ-PUQAOBSFSA-N
MW995.49 g/mol
LogP17.01
Rot. Bonds3

About 3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride

3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride (PubChem CID 159380291) has the molecular formula C49H39Br4FN2 and a molecular weight of 995.49 g/mol. Its IUPAC name is 3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride.

Molecular Properties

Compound Name3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
PubChem CID159380291
Molecular FormulaC49H39Br4FN2
Molecular Weight995.49 g/mol
Exact Mass990.99
IUPAC Name3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
SMILESBrc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Brc1ccc(Br)cc1.Brc1ccc2c(c1)c1ccccc1n2-c1ccccc1.C.F.[H][2H]
InChIInChI=1S/C24H16BrN.C18H12BrN.C6H4Br2.CH4.FH.H2/c25-19-13-10-17(11-14-19)18-12-15-24-22(16-18)21-8-4-5-9-23(21)26(24)20-6-2-1-3-7-20;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;7-5-1-2-6(8)4-3-5;;;/h1-16H;1-12H;1-4H;1H4;2*1H/i;;;;;1+1
InChIKeyLKVAAMFWNZRLIQ-PUQAOBSFSA-N
XLogP17.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.49
LogP ≤ 517.01
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
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191
2-[3-(4-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;methanethiol
CID 144896905
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-[3-(4-bromophenyl)-5-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 118289381
CID 162206730
CID 162206730
3-(3-bromo-5-phenylphenyl)-9-phenylcarbazole
CID 90030350
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride?
The IUPAC name of 3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride (CID 159380291) is 3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride.
What is the SMILES notation for 3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride?
The canonical SMILES for 3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride is Brc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Brc1ccc(Br)cc1.Brc1ccc2c(c1)c1ccccc1n2-c1ccccc1.C.F.[H][2H].
What is the InChIKey of 3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride?
The InChIKey is LKVAAMFWNZRLIQ-PUQAOBSFSA-N. The full InChI is InChI=1S/C24H16BrN.C18H12BrN.C6H4Br2.CH4.FH.H2/c25-19-13-10-17(11-14-19)18-12-15-24-22(16-18)21-8-4-5-9-23(21)26(24)20-6-2-1-3-7-20;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;7-5-1-2-6(8)4-3-5;;;/h1-16H;1-12H;1-4H;1H4;2*1H/i;;;;;1+1.
What are the key properties of 3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride?
3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride has a molecular weight of 995.49 g/mol, XLogP of 17.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride is sourced from PubChem (CID 159380291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).