1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole

C54H35N3 — CID 170660138

IUPAC1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c54)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C54H35N3/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)56-50-22-10-7-18-45(50)47-19-12-24-52(54(47)56)57-51-23-11-6-17-44(51)46-34-33-41(35-53(46)57)55-48-20-8-4-15-42(48)43-16-5-9-21-49(43)55/h1-35H/i1D,2D,3D,13D,14D,25D,26D,27D,28D,29D,30D,31D,32D
InChIKeyJLPHBOSBSALJCE-XIUUUWILSA-N
MW738.97 g/mol
LogP14.31
Rot. Bonds5

About 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole

1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole (PubChem CID 170660138) has the molecular formula C54H35N3 and a molecular weight of 738.97 g/mol. Its IUPAC name is 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
PubChem CID170660138
Molecular FormulaC54H35N3
Molecular Weight738.97 g/mol
Exact Mass738.36
IUPAC Name1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c54)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C54H35N3/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)56-50-22-10-7-18-45(50)47-19-12-24-52(54(47)56)57-51-23-11-6-17-44(51)46-34-33-41(35-53(46)57)55-48-20-8-4-15-42(48)43-16-5-9-21-49(43)55/h1-35H/i1D,2D,3D,13D,14D,25D,26D,27D,28D,29D,30D,31D,32D
InChIKeyJLPHBOSBSALJCE-XIUUUWILSA-N
XLogP14.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.97
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole with MolForge

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Related Compounds

1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170518114
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole
CID 170517522
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170374776
1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-naphthalen-1-ylcarbazole
CID 168807861
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
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-1-yl]carbazole
CID 170517476
2-carbazol-9-yl-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole
CID 170517861
9,14-bis[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 164847689
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
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole?
The IUPAC name of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole (CID 170660138) is 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole?
The canonical SMILES for 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c54)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole?
The InChIKey is JLPHBOSBSALJCE-XIUUUWILSA-N. The full InChI is InChI=1S/C54H35N3/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)56-50-22-10-7-18-45(50)47-19-12-24-52(54(47)56)57-51-23-11-6-17-44(51)46-34-33-41(35-53(46)57)55-48-20-8-4-15-42(48)43-16-5-9-21-49(43)55/h1-35H/i1D,2D,3D,13D,14D,25D,26D,27D,28D,29D,30D,31D,32D.
What are the key properties of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole?
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole has a molecular weight of 738.97 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 170660138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).