3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C48H32N2 — CID 164756668

IUPAC3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C48H32N2/c1-4-15-33(16-5-1)38-23-14-24-39(34-17-6-2-7-18-34)48(38)35-27-29-46-42(31-35)43-32-37(28-30-47(43)49(46)36-19-8-3-9-20-36)50-44-25-12-10-21-40(44)41-22-11-13-26-45(41)50/h1-32H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,15D,16D,17D,18D,19D,20D
InChIKeyOTGHRKYVHGNHOY-ACTGVNJTSA-N
MW651.89 g/mol
LogP12.88
Rot. Bonds5

About 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole

3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 164756668) has the molecular formula C48H32N2 and a molecular weight of 651.89 g/mol. Its IUPAC name is 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

Compound Name3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
PubChem CID164756668
Molecular FormulaC48H32N2
Molecular Weight651.89 g/mol
Exact Mass651.35
IUPAC Name3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C48H32N2/c1-4-15-33(16-5-1)38-23-14-24-39(34-17-6-2-7-18-34)48(38)35-27-29-46-42(31-35)43-32-37(28-30-47(43)49(46)36-19-8-3-9-20-36)50-44-25-12-10-21-40(44)41-22-11-13-26-45(41)50/h1-32H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,15D,16D,17D,18D,19D,20D
InChIKeyOTGHRKYVHGNHOY-ACTGVNJTSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.89
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 164976427
9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole
CID 171458755
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517729
3-[9-[9,9-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 177077225
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
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517762
1,2,3,4-tetradeuterio-9-[9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517700
3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole
CID 158198948
9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 168748887
3-[9-[9,9-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 177077443
3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 177077367

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The IUPAC name of 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 164756668) is 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole.
What is the SMILES notation for 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The canonical SMILES for 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The InChIKey is OTGHRKYVHGNHOY-ACTGVNJTSA-N. The full InChI is InChI=1S/C48H32N2/c1-4-15-33(16-5-1)38-23-14-24-39(34-17-6-2-7-18-34)48(38)35-27-29-46-42(31-35)43-32-37(28-30-47(43)49(46)36-19-8-3-9-20-36)50-44-25-12-10-21-40(44)41-22-11-13-26-45(41)50/h1-32H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,15D,16D,17D,18D,19D,20D.
What are the key properties of 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 651.89 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 164756668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).