10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine

C90H54N12O3 — CID 148583700

IUPAC10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine
SMILESc1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1cnc(-c2cc(-c3ncc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)cc(-c3ncc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)c2)nc1
InChIInChI=1S/C90H54N12O3/c1-7-25-70-64(19-1)65-20-2-8-26-71(65)97(70)58-37-40-79-85(46-58)103-82-34-16-13-31-76(82)100(79)61-49-91-88(92-50-61)55-43-56(89-93-51-62(52-94-89)101-77-32-14-17-35-83(77)104-86-47-59(38-41-80(86)101)98-72-27-9-3-21-66(72)67-22-4-10-28-73(67)98)45-57(44-55)90-95-53-63(54-96-90)102-78-33-15-18-36-84(78)105-87-48-60(39-42-81(87)102)99-74-29-11-5-23-68(74)69-24-6-12-30-75(69)99/h1-54H
InChIKeyMZGKZCXPFZOITL-UHFFFAOYSA-N
MW1351.50 g/mol
LogP23.08
Rot. Bonds9

About 10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine

10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine (PubChem CID 148583700) has the molecular formula C90H54N12O3 and a molecular weight of 1351.50 g/mol. Its IUPAC name is 10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine.

Molecular Properties

Compound Name10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine
PubChem CID148583700
Molecular FormulaC90H54N12O3
Molecular Weight1351.50 g/mol
Exact Mass1350.44
IUPAC Name10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine
SMILESc1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1cnc(-c2cc(-c3ncc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)cc(-c3ncc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)c2)nc1
InChIInChI=1S/C90H54N12O3/c1-7-25-70-64(19-1)65-20-2-8-26-71(65)97(70)58-37-40-79-85(46-58)103-82-34-16-13-31-76(82)100(79)61-49-91-88(92-50-61)55-43-56(89-93-51-62(52-94-89)101-77-32-14-17-35-83(77)104-86-47-59(38-41-80(86)101)98-72-27-9-3-21-66(72)67-22-4-10-28-73(67)98)45-57(44-55)90-95-53-63(54-96-90)102-78-33-15-18-36-84(78)105-87-48-60(39-42-81(87)102)99-74-29-11-5-23-68(74)69-24-6-12-30-75(69)99/h1-54H
InChIKeyMZGKZCXPFZOITL-UHFFFAOYSA-N
XLogP23.08
TPSA129.54 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001351.50
LogP ≤ 523.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine?
The IUPAC name of 10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine (CID 148583700) is 10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine.
What is the SMILES notation for 10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine?
The canonical SMILES for 10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine is c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1cnc(-c2cc(-c3ncc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)cc(-c3ncc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)cn3)c2)nc1.
What is the InChIKey of 10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine?
The InChIKey is MZGKZCXPFZOITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N12O3/c1-7-25-70-64(19-1)65-20-2-8-26-71(65)97(70)58-37-40-79-85(46-58)103-82-34-16-13-31-76(82)100(79)61-49-91-88(92-50-61)55-43-56(89-93-51-62(52-94-89)101-77-32-14-17-35-83(77)104-86-47-59(38-41-80(86)101)98-72-27-9-3-21-66(72)67-22-4-10-28-73(67)98)45-57(44-55)90-95-53-63(54-96-90)102-78-33-15-18-36-84(78)105-87-48-60(39-42-81(87)102)99-74-29-11-5-23-68(74)69-24-6-12-30-75(69)99/h1-54H.
What are the key properties of 10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine?
10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine has a molecular weight of 1351.50 g/mol, XLogP of 23.08, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[3,5-bis[5-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-carbazol-9-ylphenoxazine is sourced from PubChem (CID 148583700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).