1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole

C19H15N — CID 171461467

IUPAC1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(C)c([2H])c([2H])c1n2-c1ccccc1
InChIInChI=1S/C19H15N/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2-13H,1H3/i5D,6D,9D,10D,11D,12D,13D
InChIKeyAVPLCPIXXJOBHG-NDYQGIJZSA-N
MW264.38 g/mol
LogP5.09
Rot. Bonds1

About 1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole

1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole (PubChem CID 171461467) has the molecular formula C19H15N and a molecular weight of 264.38 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole
PubChem CID171461467
Molecular FormulaC19H15N
Molecular Weight264.38 g/mol
Exact Mass264.16
IUPAC Name1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(C)c([2H])c([2H])c1n2-c1ccccc1
InChIInChI=1S/C19H15N/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2-13H,1H3/i5D,6D,9D,10D,11D,12D,13D
InChIKeyAVPLCPIXXJOBHG-NDYQGIJZSA-N
XLogP5.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.38
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
[1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 88565814
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole
CID 164979806
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
1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
CID 164843391
1,2,3,4,5,6,7,8-octadeuterio-9-[2-[2-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2-[2-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 165011570
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-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172513528
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 164979337
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
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 166047028
9-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;9-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4,5,7,8-hexadeuterio-3-methyl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole
CID 167611883

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole?
The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole (CID 171461467) is 1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole.
What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole?
The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(C)c([2H])c([2H])c1n2-c1ccccc1.
What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole?
The InChIKey is AVPLCPIXXJOBHG-NDYQGIJZSA-N. The full InChI is InChI=1S/C19H15N/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2-13H,1H3/i5D,6D,9D,10D,11D,12D,13D.
What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole?
1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole has a molecular weight of 264.38 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole is sourced from PubChem (CID 171461467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).