10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine

C42H27N5O2 — CID 129148043

IUPAC10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(N4c5ccccc5Oc5ccccc54)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ccncc32)cc1
InChIInChI=1S/C42H27N5O2/c1-2-12-29(13-3-1)47-37-27-43-23-22-32(37)44-42(47)28-24-30(45-33-14-4-8-18-38(33)48-39-19-9-5-15-34(39)45)26-31(25-28)46-35-16-6-10-20-40(35)49-41-21-11-7-17-36(41)46/h1-27H
InChIKeyZZKKKMZQPQDCNR-UHFFFAOYSA-N
MW633.71 g/mol
LogP11.24
Rot. Bonds4

About 10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine

10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 129148043) has the molecular formula C42H27N5O2 and a molecular weight of 633.71 g/mol. Its IUPAC name is 10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
PubChem CID129148043
Molecular FormulaC42H27N5O2
Molecular Weight633.71 g/mol
Exact Mass633.22
IUPAC Name10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(N4c5ccccc5Oc5ccccc54)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ccncc32)cc1
InChIInChI=1S/C42H27N5O2/c1-2-12-29(13-3-1)47-37-27-43-23-22-32(37)44-42(47)28-24-30(45-33-14-4-8-18-38(33)48-39-19-9-5-15-34(39)45)26-31(25-28)46-35-16-6-10-20-40(35)49-41-21-11-7-17-36(41)46/h1-27H
InChIKeyZZKKKMZQPQDCNR-UHFFFAOYSA-N
XLogP11.24
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.71
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine (CID 129148043) is 10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine is c1ccc(-n2c(-c3cc(N4c5ccccc5Oc5ccccc54)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ccncc32)cc1.
What is the InChIKey of 10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is ZZKKKMZQPQDCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5O2/c1-2-12-29(13-3-1)47-37-27-43-23-22-32(37)44-42(47)28-24-30(45-33-14-4-8-18-38(33)48-39-19-9-5-15-34(39)45)26-31(25-28)46-35-16-6-10-20-40(35)49-41-21-11-7-17-36(41)46/h1-27H.
What are the key properties of 10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 633.71 g/mol, XLogP of 11.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).