10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine

C44H30N4O2 — CID 58501398

IUPAC10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine
SMILESCn1c2ccc(N3c4ccccc4Oc4ccccc43)cc2c2cc3c(cc21)c1cc(N2c4ccccc4Oc4ccccc42)ccc1n3C
InChIInChI=1S/C44H30N4O2/c1-45-33-21-19-27(47-35-11-3-7-15-41(35)49-42-16-8-4-12-36(42)47)23-29(33)31-26-40-32(25-39(31)45)30-24-28(20-22-34(30)46(40)2)48-37-13-5-9-17-43(37)50-44-18-10-6-14-38(44)48/h3-26H,1-2H3
InChIKeyLUAUDADLOKSYRU-UHFFFAOYSA-N
MW646.75 g/mol
LogP12.13
Rot. Bonds2

About 10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine

10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine (PubChem CID 58501398) has the molecular formula C44H30N4O2 and a molecular weight of 646.75 g/mol. Its IUPAC name is 10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine.

Molecular Properties

Compound Name10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine
PubChem CID58501398
Molecular FormulaC44H30N4O2
Molecular Weight646.75 g/mol
Exact Mass646.24
IUPAC Name10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine
SMILESCn1c2ccc(N3c4ccccc4Oc4ccccc43)cc2c2cc3c(cc21)c1cc(N2c4ccccc4Oc4ccccc42)ccc1n3C
InChIInChI=1S/C44H30N4O2/c1-45-33-21-19-27(47-35-11-3-7-15-41(35)49-42-16-8-4-12-36(42)47)23-29(33)31-26-40-32(25-39(31)45)30-24-28(20-22-34(30)46(40)2)48-37-13-5-9-17-43(37)50-44-18-10-6-14-38(44)48/h3-26H,1-2H3
InChIKeyLUAUDADLOKSYRU-UHFFFAOYSA-N
XLogP12.13
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.75
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine?
The IUPAC name of 10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine (CID 58501398) is 10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine.
What is the SMILES notation for 10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine?
The canonical SMILES for 10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine is Cn1c2ccc(N3c4ccccc4Oc4ccccc43)cc2c2cc3c(cc21)c1cc(N2c4ccccc4Oc4ccccc42)ccc1n3C.
What is the InChIKey of 10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine?
The InChIKey is LUAUDADLOKSYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O2/c1-45-33-21-19-27(47-35-11-3-7-15-41(35)49-42-16-8-4-12-36(42)47)23-29(33)31-26-40-32(25-39(31)45)30-24-28(20-22-34(30)46(40)2)48-37-13-5-9-17-43(37)50-44-18-10-6-14-38(44)48/h3-26H,1-2H3.
What are the key properties of 10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine?
10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine has a molecular weight of 646.75 g/mol, XLogP of 12.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5,11-dimethyl-2-phenoxazin-10-ylindolo[3,2-b]carbazol-8-yl)phenoxazine is sourced from PubChem (CID 58501398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).