[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone

C48H30N4O — CID 132527118

IUPAC[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C48H30N4O/c53-48(32-25-27-49-28-26-32)31-17-19-33(20-18-31)50-46-23-21-34(51-42-13-5-1-9-36(42)37-10-2-6-14-43(37)51)29-40(46)41-30-35(22-24-47(41)50)52-44-15-7-3-11-38(44)39-12-4-8-16-45(39)52/h1-30H
InChIKeyDCKNSCKMCGNRCY-UHFFFAOYSA-N
MW678.80 g/mol
LogP11.60
Rot. Bonds5

About [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone

[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone (PubChem CID 132527118) has the molecular formula C48H30N4O and a molecular weight of 678.80 g/mol. Its IUPAC name is [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone
PubChem CID132527118
Molecular FormulaC48H30N4O
Molecular Weight678.80 g/mol
Exact Mass678.24
IUPAC Name[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C48H30N4O/c53-48(32-25-27-49-28-26-32)31-17-19-33(20-18-31)50-46-23-21-34(51-42-13-5-1-9-36(42)37-10-2-6-14-43(37)51)29-40(46)41-30-35(22-24-47(41)50)52-44-15-7-3-11-38(44)39-12-4-8-16-45(39)52/h1-30H
InChIKeyDCKNSCKMCGNRCY-UHFFFAOYSA-N
XLogP11.60
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.80
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone 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 [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone (CID 132527118) is [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone is O=C(c1ccncc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone?
The InChIKey is DCKNSCKMCGNRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O/c53-48(32-25-27-49-28-26-32)31-17-19-33(20-18-31)50-46-23-21-34(51-42-13-5-1-9-36(42)37-10-2-6-14-43(37)51)29-40(46)41-30-35(22-24-47(41)50)52-44-15-7-3-11-38(44)39-12-4-8-16-45(39)52/h1-30H.
What are the key properties of [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone?
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone has a molecular weight of 678.80 g/mol, XLogP of 11.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 132527118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).