3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole

C55H38N2 — CID 157215677

IUPAC3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole
SMILES[2H]c1ccc2c(c1)c1cc(-c3ccc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4ccccc4)cc3)ccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C55H38N2/c1-37-21-28-53-49(31-37)51-36-43(27-30-55(51)56(53)46-17-9-4-10-18-46)41-24-22-40(23-25-41)42-26-29-54-50(35-42)48-19-11-12-20-52(48)57(54)47-33-44(38-13-5-2-6-14-38)32-45(34-47)39-15-7-3-8-16-39/h2-36H,1H3/i11D
InChIKeyNUJIHHYHPBHFNU-WORMITQPSA-N
MW727.93 g/mol
LogP14.86
Rot. Bonds6

About 3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole

3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 157215677) has the molecular formula C55H38N2 and a molecular weight of 727.93 g/mol. Its IUPAC name is 3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole
PubChem CID157215677
Molecular FormulaC55H38N2
Molecular Weight727.93 g/mol
Exact Mass727.31
IUPAC Name3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole
SMILES[2H]c1ccc2c(c1)c1cc(-c3ccc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4ccccc4)cc3)ccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C55H38N2/c1-37-21-28-53-49(31-37)51-36-43(27-30-55(51)56(53)46-17-9-4-10-18-46)41-24-22-40(23-25-41)42-26-29-54-50(35-42)48-19-11-12-20-52(48)57(54)47-33-44(38-13-5-2-6-14-38)32-45(34-47)39-15-7-3-8-16-39/h2-36H,1H3/i11D
InChIKeyNUJIHHYHPBHFNU-WORMITQPSA-N
XLogP14.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.93
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 153283225
1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole
CID 161419007
3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 153283421
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 160896823
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole (CID 157215677) is 3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole is [2H]c1ccc2c(c1)c1cc(-c3ccc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4ccccc4)cc3)ccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole?
The InChIKey is NUJIHHYHPBHFNU-WORMITQPSA-N. The full InChI is InChI=1S/C55H38N2/c1-37-21-28-53-49(31-37)51-36-43(27-30-55(51)56(53)46-17-9-4-10-18-46)41-24-22-40(23-25-41)42-26-29-54-50(35-42)48-19-11-12-20-52(48)57(54)47-33-44(38-13-5-2-6-14-38)32-45(34-47)39-15-7-3-8-16-39/h2-36H,1H3/i11D.
What are the key properties of 3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole?
3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole has a molecular weight of 727.93 g/mol, XLogP of 14.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 157215677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).