10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine

C52H34N4O — CID 90209108

IUPAC10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4N4c5ccccc5Oc5ccccc54)c3)n2)cc1
InChIInChI=1S/C52H34N4O/c1-3-16-35(17-4-1)42-34-43(36-18-5-2-6-19-36)54-52(53-42)39-21-15-20-37(32-39)38-30-31-45-41(33-38)40-22-7-8-23-44(40)55(45)46-24-9-10-25-47(46)56-48-26-11-13-28-50(48)57-51-29-14-12-27-49(51)56/h1-34H
InChIKeyYCJSFPJNXDSJCI-UHFFFAOYSA-N
MW730.87 g/mol
LogP13.82
Rot. Bonds6

About 10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine

10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine (PubChem CID 90209108) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
PubChem CID90209108
Molecular FormulaC52H34N4O
Molecular Weight730.87 g/mol
Exact Mass730.27
IUPAC Name10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4N4c5ccccc5Oc5ccccc54)c3)n2)cc1
InChIInChI=1S/C52H34N4O/c1-3-16-35(17-4-1)42-34-43(36-18-5-2-6-19-36)54-52(53-42)39-21-15-20-37(32-39)38-30-31-45-41(33-38)40-22-7-8-23-44(40)55(45)46-24-9-10-25-47(46)56-48-26-11-13-28-50(48)57-51-29-14-12-27-49(51)56/h1-34H
InChIKeyYCJSFPJNXDSJCI-UHFFFAOYSA-N
XLogP13.82
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
The IUPAC name of 10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine (CID 90209108) is 10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4N4c5ccccc5Oc5ccccc54)c3)n2)cc1.
What is the InChIKey of 10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
The InChIKey is YCJSFPJNXDSJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O/c1-3-16-35(17-4-1)42-34-43(36-18-5-2-6-19-36)54-52(53-42)39-21-15-20-37(32-39)38-30-31-45-41(33-38)40-22-7-8-23-44(40)55(45)46-24-9-10-25-47(46)56-48-26-11-13-28-50(48)57-51-29-14-12-27-49(51)56/h1-34H.
What are the key properties of 10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine has a molecular weight of 730.87 g/mol, XLogP of 13.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine is sourced from PubChem (CID 90209108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).