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

C48H32N2 — CID 171458093

IUPAC2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c(-c7ccccc7-c7ccccc7)cccc65)cc43)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C48H32N2/c1-3-15-33(16-4-1)35-19-13-20-36(31-35)50-44-26-11-9-23-40(44)41-30-29-37(32-47(41)50)49-45-27-12-10-24-43(45)48-42(25-14-28-46(48)49)39-22-8-7-21-38(39)34-17-5-2-6-18-34/h1-32H/i1D,3D,4D,13D,15D,16D,19D,20D,31D
InChIKeyWPWYTEIHFVXEKH-MMNVQJLCSA-N
MW645.85 g/mol
LogP12.88
Rot. Bonds5

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

2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (PubChem CID 171458093) has the molecular formula C48H32N2 and a molecular weight of 645.85 g/mol. Its IUPAC name is 2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
PubChem CID171458093
Molecular FormulaC48H32N2
Molecular Weight645.85 g/mol
Exact Mass645.31
IUPAC Name2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c(-c7ccccc7-c7ccccc7)cccc65)cc43)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C48H32N2/c1-3-15-33(16-4-1)35-19-13-20-36(31-35)50-44-26-11-9-23-40(44)41-30-29-37(32-47(41)50)49-45-27-12-10-24-43(45)48-42(25-14-28-46(48)49)39-22-8-7-21-38(39)34-17-5-2-6-18-34/h1-32H/i1D,3D,4D,13D,15D,16D,19D,20D,31D
InChIKeyWPWYTEIHFVXEKH-MMNVQJLCSA-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 ≤ 500645.85
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole
CID 171458084
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517406
9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole
CID 171458755
9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole
CID 165386118
12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole
CID 172515275
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazole
CID 171458260
9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386103
2-[9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazol-4-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(9-phenylcarbazol-2-yl)-9-(2,3,4,6-tetradeuterio-5-dibenzofuran-2-ylphenyl)carbazole
CID 167687878
[3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 171458385
triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane
CID 171458280
4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
4-carbazol-9-yl-1,2,3,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170517385

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The IUPAC name of 2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (CID 171458093) is 2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.
What is the SMILES notation for 2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The canonical SMILES for 2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c(-c7ccccc7-c7ccccc7)cccc65)cc43)c2[2H])c([2H])c1[2H].
What is the InChIKey of 2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The InChIKey is WPWYTEIHFVXEKH-MMNVQJLCSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-15-33(16-4-1)35-19-13-20-36(31-35)50-44-26-11-9-23-40(44)41-30-29-37(32-47(41)50)49-45-27-12-10-24-43(45)48-42(25-14-28-46(48)49)39-22-8-7-21-38(39)34-17-5-2-6-18-34/h1-32H/i1D,3D,4D,13D,15D,16D,19D,20D,31D.
What are the key properties of 2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole has a molecular weight of 645.85 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 2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 171458093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).