10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine

C60H39N3O2 — CID 20607963

IUPAC10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C60H39N3O2/c1-3-15-51-49(13-1)50-14-2-4-16-52(50)61(51)46-31-25-40(26-32-46)43-37-44(41-27-33-47(34-28-41)62-53-17-5-9-21-57(53)64-58-22-10-6-18-54(58)62)39-45(38-43)42-29-35-48(36-30-42)63-55-19-7-11-23-59(55)65-60-24-12-8-20-56(60)63/h1-39H
InChIKeyRQKMZHIBMNZGMK-UHFFFAOYSA-N
MW833.99 g/mol
LogP16.94
Rot. Bonds6

About 10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine

10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine (PubChem CID 20607963) has the molecular formula C60H39N3O2 and a molecular weight of 833.99 g/mol. Its IUPAC name is 10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine
PubChem CID20607963
Molecular FormulaC60H39N3O2
Molecular Weight833.99 g/mol
Exact Mass833.30
IUPAC Name10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C60H39N3O2/c1-3-15-51-49(13-1)50-14-2-4-16-52(50)61(51)46-31-25-40(26-32-46)43-37-44(41-27-33-47(34-28-41)62-53-17-5-9-21-57(53)64-58-22-10-6-18-54(58)62)39-45(38-43)42-29-35-48(36-30-42)63-55-19-7-11-23-59(55)65-60-24-12-8-20-56(60)63/h1-39H
InChIKeyRQKMZHIBMNZGMK-UHFFFAOYSA-N
XLogP16.94
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.99
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine (CID 20607963) is 10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.
What is the InChIKey of 10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
The InChIKey is RQKMZHIBMNZGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3O2/c1-3-15-51-49(13-1)50-14-2-4-16-52(50)61(51)46-31-25-40(26-32-46)43-37-44(41-27-33-47(34-28-41)62-53-17-5-9-21-57(53)64-58-22-10-6-18-54(58)62)39-45(38-43)42-29-35-48(36-30-42)63-55-19-7-11-23-59(55)65-60-24-12-8-20-56(60)63/h1-39H.
What are the key properties of 10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine has a molecular weight of 833.99 g/mol, XLogP of 16.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-(4-carbazol-9-ylphenyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 20607963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).