1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole

C36H24N2 — CID 166047125

IUPAC1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole
SMILES[2H]c1cccc2c3cccc([2H])c3n(-c3ccc(-c4ccc(-n5c6c([2H])cccc6c6cccc([2H])c65)cc4)cc3)c12
InChIInChI=1S/C36H24N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H/i13D,14D,15D,16D
InChIKeyVFUDMQLBKNMONU-DNXUXHMQSA-N
MW488.63 g/mol
LogP9.55
Rot. Bonds3

About 1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole

1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 166047125) has the molecular formula C36H24N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID166047125
Molecular FormulaC36H24N2
Molecular Weight488.63 g/mol
Exact Mass488.22
IUPAC Name1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole
SMILES[2H]c1cccc2c3cccc([2H])c3n(-c3ccc(-c4ccc(-n5c6c([2H])cccc6c6cccc([2H])c65)cc4)cc3)c12
InChIInChI=1S/C36H24N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H/i13D,14D,15D,16D
InChIKeyVFUDMQLBKNMONU-DNXUXHMQSA-N
XLogP9.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517578
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517489
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170517466
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
CID 102286078
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 169059391

Frequently Asked Questions

What is the IUPAC name of 1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole (CID 166047125) is 1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole is [2H]c1cccc2c3cccc([2H])c3n(-c3ccc(-c4ccc(-n5c6c([2H])cccc6c6cccc([2H])c65)cc4)cc3)c12.
What is the InChIKey of 1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is VFUDMQLBKNMONU-DNXUXHMQSA-N. The full InChI is InChI=1S/C36H24N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H/i13D,14D,15D,16D.
What are the key properties of 1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole?
1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 488.63 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dideuterio-9-[4-[4-(1,8-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 166047125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).