2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole

C18H11Br2N — CID 59500390

IUPAC2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole
SMILES[2H]c1c(Br)c([2H])c2c(c1[2H])c1c([2H])c([2H])c(Br)c([2H])c1n2-c1ccccc1
InChIInChI=1S/C18H11Br2N/c19-12-6-8-15-16-9-7-13(20)11-18(16)21(17(15)10-12)14-4-2-1-3-5-14/h1-11H/i6D,7D,8D,9D,10D,11D
InChIKeyMDXCDMSVFQIDGN-WJTQYTSOSA-N
MW407.14 g/mol
LogP6.31
Rot. Bonds1

About 2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole

2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole (PubChem CID 59500390) has the molecular formula C18H11Br2N and a molecular weight of 407.14 g/mol. Its IUPAC name is 2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole.

Molecular Properties

Compound Name2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole
PubChem CID59500390
Molecular FormulaC18H11Br2N
Molecular Weight407.14 g/mol
Exact Mass404.96
IUPAC Name2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole
SMILES[2H]c1c(Br)c([2H])c2c(c1[2H])c1c([2H])c([2H])c(Br)c([2H])c1n2-c1ccccc1
InChIInChI=1S/C18H11Br2N/c19-12-6-8-15-16-9-7-13(20)11-18(16)21(17(15)10-12)14-4-2-1-3-5-14/h1-11H/i6D,7D,8D,9D,10D,11D
InChIKeyMDXCDMSVFQIDGN-WJTQYTSOSA-N
XLogP6.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.14
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
CID 177269978
2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole
CID 172519786
1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
CID 164843391
1,2,3,4,5,6,8-heptadeuterio-9-(4-deuteriophenyl)-7-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole
CID 167377854
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 177280510
1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole
CID 177280472
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(4-deuteriophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 172511986
1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole
CID 171461467
1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 177280461
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164788730
3-bromo-1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517677
1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]carbazole
CID 170518264

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole?
The IUPAC name of 2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole (CID 59500390) is 2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole.
What is the SMILES notation for 2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole?
The canonical SMILES for 2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole is [2H]c1c(Br)c([2H])c2c(c1[2H])c1c([2H])c([2H])c(Br)c([2H])c1n2-c1ccccc1.
What is the InChIKey of 2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole?
The InChIKey is MDXCDMSVFQIDGN-WJTQYTSOSA-N. The full InChI is InChI=1S/C18H11Br2N/c19-12-6-8-15-16-9-7-13(20)11-18(16)21(17(15)10-12)14-4-2-1-3-5-14/h1-11H/i6D,7D,8D,9D,10D,11D.
What are the key properties of 2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole?
2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole has a molecular weight of 407.14 g/mol, XLogP of 6.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole is sourced from PubChem (CID 59500390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).