1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole

C48H32N2 — CID 171588023

IUPAC1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole
SMILES[2H]c1cc([2H])c(-c2cc([2H])c(-n3c4c([2H])cc([2H])c([2H])c4c4c([2H])c(-c5cc([2H])c6c(c5[2H])c5c([2H])c([2H])cc([2H])c5n6-c5c([2H])cc(-c6c([2H])cc([2H])cc6[2H])cc5[2H])cc([2H])c43)c([2H])c2)c([2H])c1
InChIInChI=1S/C48H32N2/c1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-45-17-9-7-15-41(45)43-31-37(23-29-47(43)49)38-24-30-48-44(32-38)42-16-8-10-18-46(42)50(48)40-27-21-36(22-28-40)34-13-5-2-6-14-34/h1-32H/i1D,2D,7D,8D,11D,12D,13D,14D,15D,16D,17D,18D,25D,26D,27D,28D,29D,30D,31D,32D
InChIKeyGVEOOAAZBOGDSN-VNUWBSINSA-N
MW656.92 g/mol
LogP12.88
Rot. Bonds5

About 1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole

1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole (PubChem CID 171588023) has the molecular formula C48H32N2 and a molecular weight of 656.92 g/mol. Its IUPAC name is 1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole
PubChem CID171588023
Molecular FormulaC48H32N2
Molecular Weight656.92 g/mol
Exact Mass656.38
IUPAC Name1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole
SMILES[2H]c1cc([2H])c(-c2cc([2H])c(-n3c4c([2H])cc([2H])c([2H])c4c4c([2H])c(-c5cc([2H])c6c(c5[2H])c5c([2H])c([2H])cc([2H])c5n6-c5c([2H])cc(-c6c([2H])cc([2H])cc6[2H])cc5[2H])cc([2H])c43)c([2H])c2)c([2H])c1
InChIInChI=1S/C48H32N2/c1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-45-17-9-7-15-41(45)43-31-37(23-29-47(43)49)38-24-30-48-44(32-38)42-16-8-10-18-46(42)50(48)40-27-21-36(22-28-40)34-13-5-2-6-14-34/h1-32H/i1D,2D,7D,8D,11D,12D,13D,14D,15D,16D,17D,18D,25D,26D,27D,28D,29D,30D,31D,32D
InChIKeyGVEOOAAZBOGDSN-VNUWBSINSA-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 ≤ 500656.92
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole with MolForge

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Related Compounds

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
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(4-deuteriophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 172511986
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,5-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 168748708
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164788730
1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 169046435
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole
CID 170517422
1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
CID 164843391
1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[2,3,5,6-tetradeuterio-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171420255
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172519891
4,5,6,7,11,12,16,18,19-nonadeuterio-9-(4-phenylphenyl)-14-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 171414467
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4-dideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 168748970
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole
CID 170517752

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole (CID 171588023) is 1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole is [2H]c1cc([2H])c(-c2cc([2H])c(-n3c4c([2H])cc([2H])c([2H])c4c4c([2H])c(-c5cc([2H])c6c(c5[2H])c5c([2H])c([2H])cc([2H])c5n6-c5c([2H])cc(-c6c([2H])cc([2H])cc6[2H])cc5[2H])cc([2H])c43)c([2H])c2)c([2H])c1.
What is the InChIKey of 1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is GVEOOAAZBOGDSN-VNUWBSINSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-45-17-9-7-15-41(45)43-31-37(23-29-47(43)49)38-24-30-48-44(32-38)42-16-8-10-18-46(42)50(48)40-27-21-36(22-28-40)34-13-5-2-6-14-34/h1-32H/i1D,2D,7D,8D,11D,12D,13D,14D,15D,16D,17D,18D,25D,26D,27D,28D,29D,30D,31D,32D.
What are the key properties of 1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole?
1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 656.92 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 1,3,4,5,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]-6-[1,4,5,6,8-pentadeuterio-9-[2,6-dideuterio-4-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 171588023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).