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

C52H34N4O — CID 90209085

IUPAC10-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6cccc(N7c8ccccc8Oc8ccccc87)c6)c5c4)c3)n2)cc1
InChIInChI=1S/C52H34N4O/c1-3-15-35(16-4-1)44-34-45(36-17-5-2-6-18-36)54-52(53-44)39-20-13-19-37(31-39)38-29-30-43-42-23-7-8-24-46(42)55(49(43)32-38)40-21-14-22-41(33-40)56-47-25-9-11-27-50(47)57-51-28-12-10-26-48(51)56/h1-34H
InChIKeyHDWPNQTUHMFFBD-UHFFFAOYSA-N
MW730.87 g/mol
LogP13.82
Rot. Bonds6

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

10-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine (PubChem CID 90209085) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 10-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
PubChem CID90209085
Molecular FormulaC52H34N4O
Molecular Weight730.87 g/mol
Exact Mass730.27
IUPAC Name10-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6cccc(N7c8ccccc8Oc8ccccc87)c6)c5c4)c3)n2)cc1
InChIInChI=1S/C52H34N4O/c1-3-15-35(16-4-1)44-34-45(36-17-5-2-6-18-36)54-52(53-44)39-20-13-19-37(31-39)38-29-30-43-42-23-7-8-24-46(42)55(49(43)32-38)40-21-14-22-41(33-40)56-47-25-9-11-27-50(47)57-51-28-12-10-26-48(51)56/h1-34H
InChIKeyHDWPNQTUHMFFBD-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-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
The IUPAC name of 10-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine (CID 90209085) is 10-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6cccc(N7c8ccccc8Oc8ccccc87)c6)c5c4)c3)n2)cc1.
What is the InChIKey of 10-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
The InChIKey is HDWPNQTUHMFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O/c1-3-15-35(16-4-1)44-34-45(36-17-5-2-6-18-36)54-52(53-44)39-20-13-19-37(31-39)38-29-30-43-42-23-7-8-24-46(42)55(49(43)32-38)40-21-14-22-41(33-40)56-47-25-9-11-27-50(47)57-51-28-12-10-26-48(51)56/h1-34H.
What are the key properties of 10-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
10-[3-[2-[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-[3-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine is sourced from PubChem (CID 90209085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).