2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine

C213H142N14O — CID 157148068

IUPAC2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc3c4ccc(-c5cccnc5)cc4c4ccccc4c3c2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc3c4ccccc4c4cc(-c5cncnc5)ccc4c3c2)c2ccccc21.c1ccc(-c2ccc3c4ccc(N5c6ccccc6Oc6ccccc65)cc4c4ccccc4c3c2)cc1.c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)ccc3N(c3ccc4c5ccccc5c5ccc(N6c7ccc(-n8c9ccccc9c9ccccc98)cc7N(c7ccccc7)c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5c4c3)c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1
InChIInChI=1S/C102H64N8.C38H28N2.C37H27N3.C36H23NO/c1-3-25-65(26-4-1)103-99-61-69(105-87-39-17-9-31-77(87)78-32-10-18-40-88(78)105)49-55-95(99)109(96-56-50-70(62-100(96)103)106-89-41-19-11-33-79(89)80-34-12-20-42-90(80)106)67-47-53-75-73-29-7-8-30-74(73)76-54-48-68(60-86(76)85(75)59-67)110-97-57-51-71(107-91-43-21-13-35-81(91)82-36-14-22-44-92(82)107)63-101(97)104(66-27-5-2-6-28-66)102-64-72(52-58-98(102)110)108-93-45-23-15-37-83(93)84-38-16-24-46-94(84)108;1-38(2)34-13-5-7-15-36(34)40(37-16-8-6-14-35(37)38)27-18-20-31-30-19-17-25(26-10-9-21-39-24-26)22-32(30)28-11-3-4-12-29(28)33(31)23-27;1-37(2)33-11-5-7-13-35(33)40(36-14-8-6-12-34(36)37)26-16-18-29-27-9-3-4-10-28(27)31-19-24(25-21-38-23-39-22-25)15-17-30(31)32(29)20-26;1-2-10-24(11-3-1)25-18-20-29-30-21-19-26(23-32(30)28-13-5-4-12-27(28)31(29)22-25)37-33-14-6-8-16-35(33)38-36-17-9-7-15-34(36)37/h1-64H;3-24H,1-2H3;3-23H,1-2H3;1-23H
InChIKeyAKXWOHSQAKYAPB-UHFFFAOYSA-N
MW2913.58 g/mol
LogP58.46
Rot. Bonds14

About 2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine

2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine (PubChem CID 157148068) has the molecular formula C213H142N14O and a molecular weight of 2913.58 g/mol. Its IUPAC name is 2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine.

Molecular Properties

Compound Name2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine
PubChem CID157148068
Molecular FormulaC213H142N14O
Molecular Weight2913.58 g/mol
Exact Mass2911.15
IUPAC Name2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc3c4ccc(-c5cccnc5)cc4c4ccccc4c3c2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc3c4ccccc4c4cc(-c5cncnc5)ccc4c3c2)c2ccccc21.c1ccc(-c2ccc3c4ccc(N5c6ccccc6Oc6ccccc65)cc4c4ccccc4c3c2)cc1.c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)ccc3N(c3ccc4c5ccccc5c5ccc(N6c7ccc(-n8c9ccccc9c9ccccc98)cc7N(c7ccccc7)c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5c4c3)c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1
InChIInChI=1S/C102H64N8.C38H28N2.C37H27N3.C36H23NO/c1-3-25-65(26-4-1)103-99-61-69(105-87-39-17-9-31-77(87)78-32-10-18-40-88(78)105)49-55-95(99)109(96-56-50-70(62-100(96)103)106-89-41-19-11-33-79(89)80-34-12-20-42-90(80)106)67-47-53-75-73-29-7-8-30-74(73)76-54-48-68(60-86(76)85(75)59-67)110-97-57-51-71(107-91-43-21-13-35-81(91)82-36-14-22-44-92(82)107)63-101(97)104(66-27-5-2-6-28-66)102-64-72(52-58-98(102)110)108-93-45-23-15-37-83(93)84-38-16-24-46-94(84)108;1-38(2)34-13-5-7-15-36(34)40(37-16-8-6-14-35(37)38)27-18-20-31-30-19-17-25(26-10-9-21-39-24-26)22-32(30)28-11-3-4-12-29(28)33(31)23-27;1-37(2)33-11-5-7-13-35(33)40(36-14-8-6-12-34(36)37)26-16-18-29-27-9-3-4-10-28(27)31-19-24(25-21-38-23-39-22-25)15-17-30(31)32(29)20-26;1-2-10-24(11-3-1)25-18-20-29-30-21-19-26(23-32(30)28-13-5-4-12-27(28)31(29)22-25)37-33-14-6-8-16-35(33)38-36-17-9-7-15-34(36)37/h1-64H;3-24H,1-2H3;3-23H,1-2H3;1-23H
InChIKeyAKXWOHSQAKYAPB-UHFFFAOYSA-N
XLogP58.46
TPSA90.30 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002913.58
LogP ≤ 558.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine with MolForge

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Related Compounds

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
9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide
CID 158516879
2-Benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile
CID 158706826
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
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160634611
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161004567
9-[3,5-Di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile
CID 162163987
22-[3-[3-[1-(9-Benzylcarbazol-3-yl)carbazol-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-(3-fluorophenyl)-20-aza-22-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,21,23,25-tridecaene
CID 170942423
10-Phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine
CID 20606854
3-Ethyl-2-[3-[3-ethyl-5-methyl-1-(2-phenoxyethyl)pyrrolo[3,2-f]benzimidazol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(2-phenoxyethyl)pyrrolo[3,2-f]benzimidazole
CID 59071146

Frequently Asked Questions

What is the IUPAC name of 2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine?
The IUPAC name of 2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine (CID 157148068) is 2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine.
What is the SMILES notation for 2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine?
The canonical SMILES for 2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine is CC1(C)c2ccccc2N(c2ccc3c4ccc(-c5cccnc5)cc4c4ccccc4c3c2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc3c4ccccc4c4cc(-c5cncnc5)ccc4c3c2)c2ccccc21.c1ccc(-c2ccc3c4ccc(N5c6ccccc6Oc6ccccc65)cc4c4ccccc4c3c2)cc1.c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)ccc3N(c3ccc4c5ccccc5c5ccc(N6c7ccc(-n8c9ccccc9c9ccccc98)cc7N(c7ccccc7)c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5c4c3)c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1.
What is the InChIKey of 2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine?
The InChIKey is AKXWOHSQAKYAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H64N8.C38H28N2.C37H27N3.C36H23NO/c1-3-25-65(26-4-1)103-99-61-69(105-87-39-17-9-31-77(87)78-32-10-18-40-88(78)105)49-55-95(99)109(96-56-50-70(62-100(96)103)106-89-41-19-11-33-79(89)80-34-12-20-42-90(80)106)67-47-53-75-73-29-7-8-30-74(73)76-54-48-68(60-86(76)85(75)59-67)110-97-57-51-71(107-91-43-21-13-35-81(91)82-36-14-22-44-92(82)107)63-101(97)104(66-27-5-2-6-28-66)102-64-72(52-58-98(102)110)108-93-45-23-15-37-83(93)84-38-16-24-46-94(84)108;1-38(2)34-13-5-7-15-36(34)40(37-16-8-6-14-35(37)38)27-18-20-31-30-19-17-25(26-10-9-21-39-24-26)22-32(30)28-11-3-4-12-29(28)33(31)23-27;1-37(2)33-11-5-7-13-35(33)40(36-14-8-6-12-34(36)37)26-16-18-29-27-9-3-4-10-28(27)31-19-24(25-21-38-23-39-22-25)15-17-30(31)32(29)20-26;1-2-10-24(11-3-1)25-18-20-29-30-21-19-26(23-32(30)28-13-5-4-12-27(28)31(29)22-25)37-33-14-6-8-16-35(33)38-36-17-9-7-15-34(36)37/h1-64H;3-24H,1-2H3;3-23H,1-2H3;1-23H.
What are the key properties of 2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine?
2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine has a molecular weight of 2913.58 g/mol, XLogP of 58.46, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-di(carbazol-9-yl)-5-[11-[2,8-di(carbazol-9-yl)-10-phenylphenazin-5-yl]triphenylen-2-yl]-10-phenylphenazine;9,9-dimethyl-10-(7-pyridin-3-yltriphenylen-2-yl)acridine;9,9-dimethyl-10-(10-pyrimidin-5-yltriphenylen-2-yl)acridine;10-(7-phenyltriphenylen-2-yl)phenoxazine is sourced from PubChem (CID 157148068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).