10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine

C45H32N10O — CID 164705910

IUPAC10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine
SMILESCn1c(-c2cc(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)cc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc2cccnc21
InChIInChI=1S/C45H32N10O/c1-52-40(49-33-11-8-22-46-43(33)52)30-26-32(42-51-35-13-10-24-48-45(35)54(42)3)31(41-50-34-12-9-23-47-44(34)53(41)2)25-29(30)27-18-20-28(21-19-27)55-36-14-4-6-16-38(36)56-39-17-7-5-15-37(39)55/h4-26H,1-3H3
InChIKeyZDWHLHOBEQOIJE-UHFFFAOYSA-N
MW728.82 g/mol
LogP9.78
Rot. Bonds5

About 10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine

10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine (PubChem CID 164705910) has the molecular formula C45H32N10O and a molecular weight of 728.82 g/mol. Its IUPAC name is 10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine
PubChem CID164705910
Molecular FormulaC45H32N10O
Molecular Weight728.82 g/mol
Exact Mass728.28
IUPAC Name10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine
SMILESCn1c(-c2cc(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)cc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc2cccnc21
InChIInChI=1S/C45H32N10O/c1-52-40(49-33-11-8-22-46-43(33)52)30-26-32(42-51-35-13-10-24-48-45(35)54(42)3)31(41-50-34-12-9-23-47-44(34)53(41)2)25-29(30)27-18-20-28(21-19-27)55-36-14-4-6-16-38(36)56-39-17-7-5-15-37(39)55/h4-26H,1-3H3
InChIKeyZDWHLHOBEQOIJE-UHFFFAOYSA-N
XLogP9.78
TPSA104.60 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500728.82
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine 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 10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine (CID 164705910) is 10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine is Cn1c(-c2cc(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)cc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc2cccnc21.
What is the InChIKey of 10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine?
The InChIKey is ZDWHLHOBEQOIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N10O/c1-52-40(49-33-11-8-22-46-43(33)52)30-26-32(42-51-35-13-10-24-48-45(35)54(42)3)31(41-50-34-12-9-23-47-44(34)53(41)2)25-29(30)27-18-20-28(21-19-27)55-36-14-4-6-16-38(36)56-39-17-7-5-15-37(39)55/h4-26H,1-3H3.
What are the key properties of 10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine?
10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine has a molecular weight of 728.82 g/mol, XLogP of 9.78, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[2,4,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 164705910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).