1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole

C30H20N2 — CID 177280472

IUPAC1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c2c([nH]c3c([2H])c(-c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6ccccc6)c5c4[2H])c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C30H20N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-25(29)26-17-15-21(19-30(26)32)20-14-16-24-23-10-4-6-12-27(23)31-28(24)18-20/h1-19,31H/i4D,5D,6D,7D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D
InChIKeyHACGLSDYLNVAII-KGXZWWEVSA-N
MW422.59 g/mol
LogP8.09
Rot. Bonds2

About 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole

1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole (PubChem CID 177280472) has the molecular formula C30H20N2 and a molecular weight of 422.59 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole
PubChem CID177280472
Molecular FormulaC30H20N2
Molecular Weight422.59 g/mol
Exact Mass422.25
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c2c([nH]c3c([2H])c(-c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6ccccc6)c5c4[2H])c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C30H20N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-25(29)26-17-15-21(19-30(26)32)20-14-16-24-23-10-4-6-12-27(23)31-28(24)18-20/h1-19,31H/i4D,5D,6D,7D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D
InChIKeyHACGLSDYLNVAII-KGXZWWEVSA-N
XLogP8.09
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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-deuteriophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 172511986
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
1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
CID 164843391
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
1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 177280481
2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
CID 177269978
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
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,6,7,8-hexadeuterio-5,9-diphenylcarbazol-3-yl)carbazol-9-yl]-9-phenylcarbazole
CID 167377834
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-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5-tetradeuteriophenyl)phenyl]carbazole
CID 172513733
1,2,3,4,5,6,8-heptadeuterio-7-[3-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-5-[3-(3-phenylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 169279952

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole?
The IUPAC name of 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) is 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole is [2H]c1c([2H])c([2H])c2c([nH]c3c([2H])c(-c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6ccccc6)c5c4[2H])c([2H])c([2H])c32)c1[2H].
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole?
The InChIKey is HACGLSDYLNVAII-KGXZWWEVSA-N. The full InChI is InChI=1S/C30H20N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-25(29)26-17-15-21(19-30(26)32)20-14-16-24-23-10-4-6-12-27(23)31-28(24)18-20/h1-19,31H/i4D,5D,6D,7D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole?
1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole has a molecular weight of 422.59 g/mol, XLogP of 8.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 177280472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).