10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine

C90H54N12O3 — CID 153482862

IUPAC10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine
SMILESc1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1ccnc(-c2cc(-c3nccc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)cc(-c3nccc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)n1
InChIInChI=1S/C90H54N12O3/c1-7-25-67-61(19-1)62-20-2-8-26-68(62)97(67)58-37-40-76-82(52-58)103-79-34-16-13-31-73(79)100(76)85-43-46-91-88(94-85)55-49-56(89-92-47-44-86(95-89)101-74-32-14-17-35-80(74)104-83-53-59(38-41-77(83)101)98-69-27-9-3-21-63(69)64-22-4-10-28-70(64)98)51-57(50-55)90-93-48-45-87(96-90)102-75-33-15-18-36-81(75)105-84-54-60(39-42-78(84)102)99-71-29-11-5-23-65(71)66-24-6-12-30-72(66)99/h1-54H
InChIKeyFRWSQCLNJODHKL-UHFFFAOYSA-N
MW1351.50 g/mol
LogP23.08
Rot. Bonds9

About 10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine

10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine (PubChem CID 153482862) has the molecular formula C90H54N12O3 and a molecular weight of 1351.50 g/mol. Its IUPAC name is 10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine.

Molecular Properties

Compound Name10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine
PubChem CID153482862
Molecular FormulaC90H54N12O3
Molecular Weight1351.50 g/mol
Exact Mass1350.44
IUPAC Name10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine
SMILESc1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1ccnc(-c2cc(-c3nccc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)cc(-c3nccc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)n1
InChIInChI=1S/C90H54N12O3/c1-7-25-67-61(19-1)62-20-2-8-26-68(62)97(67)58-37-40-76-82(52-58)103-79-34-16-13-31-73(79)100(76)85-43-46-91-88(94-85)55-49-56(89-92-47-44-86(95-89)101-74-32-14-17-35-80(74)104-83-53-59(38-41-77(83)101)98-69-27-9-3-21-63(69)64-22-4-10-28-70(64)98)51-57(50-55)90-93-48-45-87(96-90)102-75-33-15-18-36-81(75)105-84-54-60(39-42-78(84)102)99-71-29-11-5-23-65(71)66-24-6-12-30-72(66)99/h1-54H
InChIKeyFRWSQCLNJODHKL-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

Analyze 10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine with MolForge

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Related Compounds

4-indol-1-yl-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 166072363
7-[5-[(2-ethyl-4-morpholin-4-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-[(2R)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304060
7-[5-[(2-ethyl-4-morpholin-4-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-[(2S)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304164
N-[4-[4-(dimethylamino)piperidin-1-yl]-3-methoxyphenyl]-5-(6-fluoro-3-pyridinyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
CID 150471679
6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))
CID 157071401
9-[4-Carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 157336625
2-[3-[(3-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-methylbenzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-6-methyl-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157966291
10-[2,5-Bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile
CID 158341768
10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne
CID 158860699
2,7-Bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+))
CID 158904919
N,N-dimethyl-2-[3-[6-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridin-4-amine;N,N-dimethyl-2-[3-[6-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]oxypyridin-4-amine;N,N-dimethyl-2-[3-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]oxypyridin-4-amine;pentakis(platinum(2+));N,N,5-trimethyl-2-[3-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-2-id-1-yl]oxypyridin-3-amine;N,N,5-trimethyl-2-[3-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-2-id-1-yl]oxypyridin-4-amine
CID 159430460
9-[4-Carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine
CID 159440060

Frequently Asked Questions

What is the IUPAC name of 10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine?
The IUPAC name of 10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine (CID 153482862) is 10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine.
What is the SMILES notation for 10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine?
The canonical SMILES for 10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine is c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1ccnc(-c2cc(-c3nccc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)cc(-c3nccc(N4c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)n1.
What is the InChIKey of 10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine?
The InChIKey is FRWSQCLNJODHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N12O3/c1-7-25-67-61(19-1)62-20-2-8-26-68(62)97(67)58-37-40-76-82(52-58)103-79-34-16-13-31-73(79)100(76)85-43-46-91-88(94-85)55-49-56(89-92-47-44-86(95-89)101-74-32-14-17-35-80(74)104-83-53-59(38-41-77(83)101)98-69-27-9-3-21-63(69)64-22-4-10-28-70(64)98)51-57(50-55)90-93-48-45-87(96-90)102-75-33-15-18-36-81(75)105-84-54-60(39-42-78(84)102)99-71-29-11-5-23-65(71)66-24-6-12-30-72(66)99/h1-54H.
What are the key properties of 10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine?
10-[2-[3,5-bis[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-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[4-(3-carbazol-9-ylphenoxazin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-3-carbazol-9-ylphenoxazine is sourced from PubChem (CID 153482862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).