9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole

C61H41N3 — CID 59399865

IUPAC9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C61H41N3/c1-4-20-42(21-5-1)61(43-22-6-2-7-23-43,44-24-8-3-9-25-44)45-36-37-60-54(38-45)53-30-14-19-35-59(53)64(60)48-40-46(62-55-31-15-10-26-49(55)50-27-11-16-32-56(50)62)39-47(41-48)63-57-33-17-12-28-51(57)52-29-13-18-34-58(52)63/h1-41H
InChIKeyVICAWUHLSRIZRT-UHFFFAOYSA-N
MW816.02 g/mol
LogP15.36
Rot. Bonds7

About 9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole

9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole (PubChem CID 59399865) has the molecular formula C61H41N3 and a molecular weight of 816.02 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole.

Molecular Properties

Compound Name9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
PubChem CID59399865
Molecular FormulaC61H41N3
Molecular Weight816.02 g/mol
Exact Mass815.33
IUPAC Name9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C61H41N3/c1-4-20-42(21-5-1)61(43-22-6-2-7-23-43,44-24-8-3-9-25-44)45-36-37-60-54(38-45)53-30-14-19-35-59(53)64(60)48-40-46(62-55-31-15-10-26-49(55)50-27-11-16-32-56(50)62)39-47(41-48)63-57-33-17-12-28-51(57)52-29-13-18-34-58(52)63/h1-41H
InChIKeyVICAWUHLSRIZRT-UHFFFAOYSA-N
XLogP15.36
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole 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

9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
9-(4-tritylphenyl)carbazole
CID 162500226
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole
CID 164756654
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole
CID 58479630
3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
CID 130231251
2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole
CID 164994259
9-ethyl-3-tritylcarbazole
CID 91743871
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole?
The IUPAC name of 9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole (CID 59399865) is 9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole.
What is the SMILES notation for 9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole?
The canonical SMILES for 9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole is c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole?
The InChIKey is VICAWUHLSRIZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3/c1-4-20-42(21-5-1)61(43-22-6-2-7-23-43,44-24-8-3-9-25-44)45-36-37-60-54(38-45)53-30-14-19-35-59(53)64(60)48-40-46(62-55-31-15-10-26-49(55)50-27-11-16-32-56(50)62)39-47(41-48)63-57-33-17-12-28-51(57)52-29-13-18-34-58(52)63/h1-41H.
What are the key properties of 9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole?
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole has a molecular weight of 816.02 g/mol, XLogP of 15.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole is sourced from PubChem (CID 59399865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).