3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline

C60H40BrN3 — CID 118289192

IUPAC3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESBrc1cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C60H40BrN3/c61-47-36-46(37-52(40-47)62(48-17-5-1-6-18-48)49-19-7-2-8-20-49)45-34-43(41-30-32-59-56(38-41)54-26-14-16-28-58(54)63(59)50-21-9-3-10-22-50)33-44(35-45)42-29-31-55-53-25-13-15-27-57(53)64(60(55)39-42)51-23-11-4-12-24-51/h1-40H
InChIKeyAKJATAGGPFZKEU-UHFFFAOYSA-N
MW882.91 g/mol
LogP17.11
Rot. Bonds8

About 3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline

3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 118289192) has the molecular formula C60H40BrN3 and a molecular weight of 882.91 g/mol. Its IUPAC name is 3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID118289192
Molecular FormulaC60H40BrN3
Molecular Weight882.91 g/mol
Exact Mass881.24
IUPAC Name3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESBrc1cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C60H40BrN3/c61-47-36-46(37-52(40-47)62(48-17-5-1-6-18-48)49-19-7-2-8-20-49)45-34-43(41-30-32-59-56(38-41)54-26-14-16-28-58(54)63(59)50-21-9-3-10-22-50)33-44(35-45)42-29-31-55-53-25-13-15-27-57(53)64(60(55)39-42)51-23-11-4-12-24-51/h1-40H
InChIKeyAKJATAGGPFZKEU-UHFFFAOYSA-N
XLogP17.11
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.91
LogP ≤ 517.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 118289192) is 3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline is Brc1cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is AKJATAGGPFZKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40BrN3/c61-47-36-46(37-52(40-47)62(48-17-5-1-6-18-48)49-19-7-2-8-20-49)45-34-43(41-30-32-59-56(38-41)54-26-14-16-28-58(54)63(59)50-21-9-3-10-22-50)33-44(35-45)42-29-31-55-53-25-13-15-27-57(53)64(60(55)39-42)51-23-11-4-12-24-51/h1-40H.
What are the key properties of 3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline?
3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 882.91 g/mol, XLogP of 17.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 118289192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).