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

C54H34N4O2 — CID 58501327

IUPAC10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine
SMILESc1ccc(-n2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3cc4c(cc32)c2cc(N3c5ccccc5Oc5ccccc53)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C54H34N4O2/c1-3-15-35(16-4-1)55-43-29-27-37(57-45-19-7-11-23-51(45)59-52-24-12-8-20-46(52)57)31-39(43)41-34-50-42(33-49(41)55)40-32-38(28-30-44(40)56(50)36-17-5-2-6-18-36)58-47-21-9-13-25-53(47)60-54-26-14-10-22-48(54)58/h1-34H
InChIKeyJGXXUDQYNUCXDF-UHFFFAOYSA-N
MW770.89 g/mol
LogP15.03
Rot. Bonds4

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

10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine (PubChem CID 58501327) has the molecular formula C54H34N4O2 and a molecular weight of 770.89 g/mol. Its IUPAC name is 10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine.

Molecular Properties

Compound Name10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine
PubChem CID58501327
Molecular FormulaC54H34N4O2
Molecular Weight770.89 g/mol
Exact Mass770.27
IUPAC Name10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine
SMILESc1ccc(-n2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3cc4c(cc32)c2cc(N3c5ccccc5Oc5ccccc53)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C54H34N4O2/c1-3-15-35(16-4-1)55-43-29-27-37(57-45-19-7-11-23-51(45)59-52-24-12-8-20-46(52)57)31-39(43)41-34-50-42(33-49(41)55)40-32-38(28-30-44(40)56(50)36-17-5-2-6-18-36)58-47-21-9-13-25-53(47)60-54-26-14-10-22-48(54)58/h1-34H
InChIKeyJGXXUDQYNUCXDF-UHFFFAOYSA-N
XLogP15.03
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.89
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine?
The IUPAC name of 10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine (CID 58501327) is 10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine.
What is the SMILES notation for 10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine?
The canonical SMILES for 10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine is c1ccc(-n2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3cc4c(cc32)c2cc(N3c5ccccc5Oc5ccccc53)ccc2n4-c2ccccc2)cc1.
What is the InChIKey of 10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine?
The InChIKey is JGXXUDQYNUCXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O2/c1-3-15-35(16-4-1)55-43-29-27-37(57-45-19-7-11-23-51(45)59-52-24-12-8-20-46(52)57)31-39(43)41-34-50-42(33-49(41)55)40-32-38(28-30-44(40)56(50)36-17-5-2-6-18-36)58-47-21-9-13-25-53(47)60-54-26-14-10-22-48(54)58/h1-34H.
What are the key properties of 10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine?
10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine has a molecular weight of 770.89 g/mol, XLogP of 15.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-phenoxazin-10-yl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)phenoxazine is sourced from PubChem (CID 58501327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).