6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole

C230H154N28O5 — CID 158288454

IUPAC6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESCC(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C(C)C)cc5)cc4)nc(-c4ccc(-c5nc6ccccc6o5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nc(-c6ccc(-c7nc8ccccc8o7)cc6)nc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)n5)ccc43)c2)cc1.c1ccc(N(c2ccccc2)c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1.c1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4c5ccccc5cc5ccccc45)n3)c3ccccc3cc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5ccc(-c6cncnc6)cc5)nc(-c5ccc(-c6cncnc6)cc5)n4)cc3)nc2c1
InChIInChI=1S/C64H40N6O.C46H38N4O.C44H26N4O.C40H28N6O.C36H22N8O/c1-3-15-41(16-4-1)45-19-13-21-49(37-45)69-56-26-10-7-23-51(56)53-39-47(33-35-58(53)69)62-66-61(43-29-31-44(32-30-43)64-65-55-25-9-12-28-60(55)71-64)67-63(68-62)48-34-36-59-54(40-48)52-24-8-11-27-57(52)70(59)50-22-14-20-46(38-50)42-17-5-2-6-18-42;1-29(2)31-9-13-33(14-10-31)35-17-21-37(22-18-35)43-48-44(38-23-19-36(20-24-38)34-15-11-32(12-16-34)30(3)4)50-45(49-43)39-25-27-40(28-26-39)46-47-41-7-5-6-8-42(41)51-46;1-5-15-33-29(11-1)25-30-12-2-6-16-34(30)39(33)42-46-41(27-21-23-28(24-22-27)44-45-37-19-9-10-20-38(37)49-44)47-43(48-42)40-35-17-7-3-13-31(35)26-32-14-4-8-18-36(32)40;1-5-15-31(16-6-1)45(32-17-7-2-8-18-32)39-42-37(29-25-27-30(28-26-29)38-41-35-23-13-14-24-36(35)47-38)43-40(44-39)46(33-19-9-3-10-20-33)34-21-11-4-12-22-34;1-2-4-32-31(3-1)41-36(45-32)28-15-13-27(14-16-28)35-43-33(25-9-5-23(6-10-25)29-17-37-21-38-18-29)42-34(44-35)26-11-7-24(8-12-26)30-19-39-22-40-20-30/h1-40H;5-30H,1-4H3;1-26H;1-28H;1-22H
InChIKeyGLBLJYJXFCHKEF-UHFFFAOYSA-N
MW3389.95 g/mol
LogP57.65
Rot. Bonds34

About 6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole

6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 158288454) has the molecular formula C230H154N28O5 and a molecular weight of 3389.95 g/mol. Its IUPAC name is 6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
PubChem CID158288454
Molecular FormulaC230H154N28O5
Molecular Weight3389.95 g/mol
Exact Mass3387.27
IUPAC Name6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESCC(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C(C)C)cc5)cc4)nc(-c4ccc(-c5nc6ccccc6o5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nc(-c6ccc(-c7nc8ccccc8o7)cc6)nc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)n5)ccc43)c2)cc1.c1ccc(N(c2ccccc2)c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1.c1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4c5ccccc5cc5ccccc45)n3)c3ccccc3cc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5ccc(-c6cncnc6)cc5)nc(-c5ccc(-c6cncnc6)cc5)n4)cc3)nc2c1
InChIInChI=1S/C64H40N6O.C46H38N4O.C44H26N4O.C40H28N6O.C36H22N8O/c1-3-15-41(16-4-1)45-19-13-21-49(37-45)69-56-26-10-7-23-51(56)53-39-47(33-35-58(53)69)62-66-61(43-29-31-44(32-30-43)64-65-55-25-9-12-28-60(55)71-64)67-63(68-62)48-34-36-59-54(40-48)52-24-8-11-27-57(52)70(59)50-22-14-20-46(38-50)42-17-5-2-6-18-42;1-29(2)31-9-13-33(14-10-31)35-17-21-37(22-18-35)43-48-44(38-23-19-36(20-24-38)34-15-11-32(12-16-34)30(3)4)50-45(49-43)39-25-27-40(28-26-39)46-47-41-7-5-6-8-42(41)51-46;1-5-15-33-29(11-1)25-30-12-2-6-16-34(30)39(33)42-46-41(27-21-23-28(24-22-27)44-45-37-19-9-10-20-38(37)49-44)47-43(48-42)40-35-17-7-3-13-31(35)26-32-14-4-8-18-36(32)40;1-5-15-31(16-6-1)45(32-17-7-2-8-18-32)39-42-37(29-25-27-30(28-26-29)38-41-35-23-13-14-24-36(35)47-38)43-40(44-39)46(33-19-9-3-10-20-33)34-21-11-4-12-22-34;1-2-4-32-31(3-1)41-36(45-32)28-15-13-27(14-16-28)35-43-33(25-9-5-23(6-10-25)29-17-37-21-38-18-29)42-34(44-35)26-11-7-24(8-12-26)30-19-39-22-40-20-30/h1-40H;5-30H,1-4H3;1-26H;1-28H;1-22H
InChIKeyGLBLJYJXFCHKEF-UHFFFAOYSA-N
XLogP57.65
TPSA391.40 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003389.95
LogP ≤ 557.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole with MolForge

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Related Compounds

2-[3-[4-[3-(4-Methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 58480069
(2S,4R)-N-[8-[5-[[3-acetyl-1-[2-[(2S,4R)-4-fluoro-2-[(5-phenylmethoxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]amino]pyrimidin-2-yl]naphthalen-2-yl]-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 144912177
CID 157119212
CID 157119212
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-[(3R)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 157242209
4-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]pyrimidine;5-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[4-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 157544793
CID 157577700
CID 157577700
2-[3-[4-[2-[4-[3-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[3-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole
CID 157737893
3-methoxy-N-methyl-4-[[4-propan-2-yloxy-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(2,2,2-trifluoroethyl)benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(trifluoromethyl)benzamide
CID 157850428
2-[4-[9,9-Dihexyl-7-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]fluoren-2-yl]phenyl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine;2-[5-[9,9-dimethyl-7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]fluoren-2-yl]-6-methyl-2-pyridinyl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine;2-[4-[9,9-dimethyl-7-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]fluoren-2-yl]phenyl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine;2-[4-[9,9-dimethyl-7-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]fluoren-2-yl]phenyl]-[1,3]oxazolo[4,5-b]pyridine;5-methyl-2-[6-methyl-5-[7-[2-methyl-6-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-9,9-bis(trifluoromethyl)fluoren-2-yl]-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
CID 158312442
2-[4-[3-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 158383395
2-[4-[3-[2-[3-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole
CID 158435449
7-Propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxymethyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methoxymethyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile
CID 158538481

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (CID 158288454) is 6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is CC(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C(C)C)cc5)cc4)nc(-c4ccc(-c5nc6ccccc6o5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nc(-c6ccc(-c7nc8ccccc8o7)cc6)nc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)n5)ccc43)c2)cc1.c1ccc(N(c2ccccc2)c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1.c1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4c5ccccc5cc5ccccc45)n3)c3ccccc3cc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5ccc(-c6cncnc6)cc5)nc(-c5ccc(-c6cncnc6)cc5)n4)cc3)nc2c1.
What is the InChIKey of 6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is GLBLJYJXFCHKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6O.C46H38N4O.C44H26N4O.C40H28N6O.C36H22N8O/c1-3-15-41(16-4-1)45-19-13-21-49(37-45)69-56-26-10-7-23-51(56)53-39-47(33-35-58(53)69)62-66-61(43-29-31-44(32-30-43)64-65-55-25-9-12-28-60(55)71-64)67-63(68-62)48-34-36-59-54(40-48)52-24-8-11-27-57(52)70(59)50-22-14-20-46(38-50)42-17-5-2-6-18-42;1-29(2)31-9-13-33(14-10-31)35-17-21-37(22-18-35)43-48-44(38-23-19-36(20-24-38)34-15-11-32(12-16-34)30(3)4)50-45(49-43)39-25-27-40(28-26-39)46-47-41-7-5-6-8-42(41)51-46;1-5-15-33-29(11-1)25-30-12-2-6-16-34(30)39(33)42-46-41(27-21-23-28(24-22-27)44-45-37-19-9-10-20-38(37)49-44)47-43(48-42)40-35-17-7-3-13-31(35)26-32-14-4-8-18-36(32)40;1-5-15-31(16-6-1)45(32-17-7-2-8-18-32)39-42-37(29-25-27-30(28-26-29)38-41-35-23-13-14-24-36(35)47-38)43-40(44-39)46(33-19-9-3-10-20-33)34-21-11-4-12-22-34;1-2-4-32-31(3-1)41-36(45-32)28-15-13-27(14-16-28)35-43-33(25-9-5-23(6-10-25)29-17-37-21-38-18-29)42-34(44-35)26-11-7-24(8-12-26)30-19-39-22-40-20-30/h1-40H;5-30H,1-4H3;1-26H;1-28H;1-22H.
What are the key properties of 6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 3389.95 g/mol, XLogP of 57.65, 34 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenyl-1,3,5-triazine-2,4-diamine;2-[4-[4,6-bis[9-(3-phenylphenyl)carbazol-3-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis[4-(4-propan-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 158288454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).