2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole

C42H28N2 — CID 169011934

IUPAC2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole
SMILES[2H]c1cc2c(c([2H])c1-c1ccc3c(c1)c1ccc(-c4ccccc4)cc1n3-c1ccccc1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C42H28N2/c1-4-12-29(13-5-1)32-20-23-36-38-27-31(22-25-41(38)44(42(36)28-32)34-16-8-3-9-17-34)30-21-24-40-37(26-30)35-18-10-11-19-39(35)43(40)33-14-6-2-7-15-33/h1-28H/i21D,26D
InChIKeyHZLKZJIDSYQIMQ-KBICGQMZSA-N
MW562.71 g/mol
LogP11.21
Rot. Bonds4

About 2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole

2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 169011934) has the molecular formula C42H28N2 and a molecular weight of 562.71 g/mol. Its IUPAC name is 2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID169011934
Molecular FormulaC42H28N2
Molecular Weight562.71 g/mol
Exact Mass562.24
IUPAC Name2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole
SMILES[2H]c1cc2c(c([2H])c1-c1ccc3c(c1)c1ccc(-c4ccccc4)cc1n3-c1ccccc1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C42H28N2/c1-4-12-29(13-5-1)32-20-23-36-38-27-31(22-25-41(38)44(42(36)28-32)34-16-8-3-9-17-34)30-21-24-40-37(26-30)35-18-10-11-19-39(35)43(40)33-14-6-2-7-15-33/h1-28H/i21D,26D
InChIKeyHZLKZJIDSYQIMQ-KBICGQMZSA-N
XLogP11.21
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846

Frequently Asked Questions

What is the IUPAC name of 2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole (CID 169011934) is 2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole is [2H]c1cc2c(c([2H])c1-c1ccc3c(c1)c1ccc(-c4ccccc4)cc1n3-c1ccccc1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is HZLKZJIDSYQIMQ-KBICGQMZSA-N. The full InChI is InChI=1S/C42H28N2/c1-4-12-29(13-5-1)32-20-23-36-38-27-31(22-25-41(38)44(42(36)28-32)34-16-8-3-9-17-34)30-21-24-40-37(26-30)35-18-10-11-19-39(35)43(40)33-14-6-2-7-15-33/h1-28H/i21D,26D.
What are the key properties of 2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole?
2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 562.71 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 169011934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).