3,7-di(carbazol-9-yl)-10-phenylphenoxazine

C42H27N3O — CID 20607973

IUPAC3,7-di(carbazol-9-yl)-10-phenylphenoxazine
SMILESc1ccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C42H27N3O/c1-2-12-28(13-3-1)43-39-24-22-29(44-35-18-8-4-14-31(35)32-15-5-9-19-36(32)44)26-41(39)46-42-27-30(23-25-40(42)43)45-37-20-10-6-16-33(37)34-17-7-11-21-38(34)45/h1-27H
InChIKeyKDXAOQNPAMIAOR-UHFFFAOYSA-N
MW589.70 g/mol
LogP11.46
Rot. Bonds3

About 3,7-di(carbazol-9-yl)-10-phenylphenoxazine

3,7-di(carbazol-9-yl)-10-phenylphenoxazine (PubChem CID 20607973) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 3,7-di(carbazol-9-yl)-10-phenylphenoxazine.

Molecular Properties

Compound Name3,7-di(carbazol-9-yl)-10-phenylphenoxazine
PubChem CID20607973
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC Name3,7-di(carbazol-9-yl)-10-phenylphenoxazine
SMILESc1ccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C42H27N3O/c1-2-12-28(13-3-1)43-39-24-22-29(44-35-18-8-4-14-31(35)32-15-5-9-19-36(32)44)26-41(39)46-42-27-30(23-25-40(42)43)45-37-20-10-6-16-33(37)34-17-7-11-21-38(34)45/h1-27H
InChIKeyKDXAOQNPAMIAOR-UHFFFAOYSA-N
XLogP11.46
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-di(carbazol-9-yl)-10-phenylphenoxazine?
The IUPAC name of 3,7-di(carbazol-9-yl)-10-phenylphenoxazine (CID 20607973) is 3,7-di(carbazol-9-yl)-10-phenylphenoxazine.
What is the SMILES notation for 3,7-di(carbazol-9-yl)-10-phenylphenoxazine?
The canonical SMILES for 3,7-di(carbazol-9-yl)-10-phenylphenoxazine is c1ccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of 3,7-di(carbazol-9-yl)-10-phenylphenoxazine?
The InChIKey is KDXAOQNPAMIAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c1-2-12-28(13-3-1)43-39-24-22-29(44-35-18-8-4-14-31(35)32-15-5-9-19-36(32)44)26-41(39)46-42-27-30(23-25-40(42)43)45-37-20-10-6-16-33(37)34-17-7-11-21-38(34)45/h1-27H.
What are the key properties of 3,7-di(carbazol-9-yl)-10-phenylphenoxazine?
3,7-di(carbazol-9-yl)-10-phenylphenoxazine has a molecular weight of 589.70 g/mol, XLogP of 11.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(carbazol-9-yl)-10-phenylphenoxazine is sourced from PubChem (CID 20607973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).