1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole

C36H25N — CID 175875661

IUPAC1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole
SMILES[2H]c1c(-c2ccccc2-c2ccccc2)c(-c2ccccc2-c2ccccc2)c2c([nH]c3ccccc32)c1[2H]
InChIInChI=1S/C36H25N/c1-3-13-25(14-4-1)27-17-7-9-19-29(27)31-23-24-34-36(32-21-11-12-22-33(32)37-34)35(31)30-20-10-8-18-28(30)26-15-5-2-6-16-26/h1-24,37H/i23D,24D
InChIKeyWLCONNLHWOOXRY-JOZDILNBSA-N
MW473.62 g/mol
LogP9.99
Rot. Bonds4

About 1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole

1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole (PubChem CID 175875661) has the molecular formula C36H25N and a molecular weight of 473.62 g/mol. Its IUPAC name is 1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole.

Molecular Properties

Compound Name1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole
PubChem CID175875661
Molecular FormulaC36H25N
Molecular Weight473.62 g/mol
Exact Mass473.21
IUPAC Name1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole
SMILES[2H]c1c(-c2ccccc2-c2ccccc2)c(-c2ccccc2-c2ccccc2)c2c([nH]c3ccccc32)c1[2H]
InChIInChI=1S/C36H25N/c1-3-13-25(14-4-1)27-17-7-9-19-29(27)31-23-24-34-36(32-21-11-12-22-33(32)37-34)35(31)30-20-10-8-18-28(30)26-15-5-2-6-16-26/h1-24,37H/i23D,24D
InChIKeyWLCONNLHWOOXRY-JOZDILNBSA-N
XLogP9.99
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 59.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-phenyl-9H-carbazole
CID 22990274
ethane;4-phenyl-9H-carbazole
CID 168948755
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
1,2,4-trideuterio-3-phenyl-9H-carbazole
CID 177093171
9H-carbazole;9,10-diphenylanthracene
CID 159841164
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene
CID 158999824
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene
CID 156902718
8,9-diphenyl-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 171620879
6,11-diphenyl-5H-benzo[b]carbazole
CID 10785338
1,2,3,4-tetraphenyltetraphenylene
CID 12596759

Frequently Asked Questions

What is the IUPAC name of 1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole?
The IUPAC name of 1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole (CID 175875661) is 1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole.
What is the SMILES notation for 1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole?
The canonical SMILES for 1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole is [2H]c1c(-c2ccccc2-c2ccccc2)c(-c2ccccc2-c2ccccc2)c2c([nH]c3ccccc32)c1[2H].
What is the InChIKey of 1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole?
The InChIKey is WLCONNLHWOOXRY-JOZDILNBSA-N. The full InChI is InChI=1S/C36H25N/c1-3-13-25(14-4-1)27-17-7-9-19-29(27)31-23-24-34-36(32-21-11-12-22-33(32)37-34)35(31)30-20-10-8-18-28(30)26-15-5-2-6-16-26/h1-24,37H/i23D,24D.
What are the key properties of 1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole?
1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole has a molecular weight of 473.62 g/mol, XLogP of 9.99, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole is sourced from PubChem (CID 175875661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).