7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

C44H27N5O — CID 126749696

IUPAC7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c1
InChIInChI=1S/C44H27N5O/c1-4-15-38-32(11-1)33-12-2-5-16-39(33)48(38)31-20-22-41-35(27-31)34-13-3-6-17-40(34)49(41)43-18-8-14-36(45-43)30-10-7-9-28(25-30)29-19-21-37-42(26-29)47-23-24-50-44(47)46-37/h1-27H
InChIKeyUVUONDQFKSJFPU-UHFFFAOYSA-N
MW641.73 g/mol
LogP11.00
Rot. Bonds4

About 7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 126749696) has the molecular formula C44H27N5O and a molecular weight of 641.73 g/mol. Its IUPAC name is 7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID126749696
Molecular FormulaC44H27N5O
Molecular Weight641.73 g/mol
Exact Mass641.22
IUPAC Name7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c1
InChIInChI=1S/C44H27N5O/c1-4-15-38-32(11-1)33-12-2-5-16-39(33)48(38)31-20-22-41-35(27-31)34-13-3-6-17-40(34)49(41)43-18-8-14-36(45-43)30-10-7-9-28(25-30)29-19-21-37-42(26-29)47-23-24-50-44(47)46-37/h1-27H
InChIKeyUVUONDQFKSJFPU-UHFFFAOYSA-N
XLogP11.00
TPSA53.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole 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 7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (CID 126749696) is 7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is c1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c1.
What is the InChIKey of 7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is UVUONDQFKSJFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5O/c1-4-15-38-32(11-1)33-12-2-5-16-39(33)48(38)31-20-22-41-35(27-31)34-13-3-6-17-40(34)49(41)43-18-8-14-36(45-43)30-10-7-9-28(25-30)29-19-21-37-42(26-29)47-23-24-50-44(47)46-37/h1-27H.
What are the key properties of 7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole has a molecular weight of 641.73 g/mol, XLogP of 11.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).