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

C54H35N3 — CID 170518114

IUPAC1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c43)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C54H35N3/c1-3-16-36(17-4-1)38-32-39(37-18-5-2-6-19-37)34-41(33-38)56-50-27-13-9-22-44(50)46-24-15-29-53(54(46)56)57-51-28-14-10-23-45(51)47-35-40(30-31-52(47)57)55-48-25-11-7-20-42(48)43-21-8-12-26-49(43)55/h1-35H/i1D,2D,3D,4D,5D,6D,16D,17D,18D,19D,32D,33D,34D
InChIKeyWAZFEWMTJPMIGQ-PENGRDGUSA-N
MW738.97 g/mol
LogP14.31
Rot. Bonds5

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

1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (PubChem CID 170518114) has the molecular formula C54H35N3 and a molecular weight of 738.97 g/mol. Its IUPAC name is 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

Molecular Properties

Compound Name1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
PubChem CID170518114
Molecular FormulaC54H35N3
Molecular Weight738.97 g/mol
Exact Mass738.36
IUPAC Name1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c43)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C54H35N3/c1-3-16-36(17-4-1)38-32-39(37-18-5-2-6-19-37)34-41(33-38)56-50-27-13-9-22-44(50)46-24-15-29-53(54(46)56)57-51-28-14-10-23-45(51)47-35-40(30-31-52(47)57)55-48-25-11-7-20-42(48)43-21-8-12-26-49(43)55/h1-35H/i1D,2D,3D,4D,5D,6D,16D,17D,18D,19D,32D,33D,34D
InChIKeyWAZFEWMTJPMIGQ-PENGRDGUSA-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-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
1,2,3,4-tetradeuterio-9-[9-[3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170517744
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
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-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517489
1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170517793
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
1,2,3,4-tetradeuterio-9-[9-[3-[2,4,6-trideuterio-3-(2,3,5,6-tetradeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170517655
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The IUPAC name of 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) is 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.
What is the SMILES notation for 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The canonical SMILES for 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c43)c2[2H])c([2H])c1[2H].
What is the InChIKey of 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The InChIKey is WAZFEWMTJPMIGQ-PENGRDGUSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-16-36(17-4-1)38-32-39(37-18-5-2-6-19-37)34-41(33-38)56-50-27-13-9-22-44(50)46-24-15-29-53(54(46)56)57-51-28-14-10-23-45(51)47-35-40(30-31-52(47)57)55-48-25-11-7-20-42(48)43-21-8-12-26-49(43)55/h1-35H/i1D,2D,3D,4D,5D,6D,16D,17D,18D,19D,32D,33D,34D.
What are the key properties of 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)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-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 170518114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).