4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline

C272H167F2N9O4 — CID 160622912

IUPAC4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline
SMILESCn1c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4ccc5cccc6ccc3c4c56)cc2)nc2ccccc21.Fc1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)c3ccc4cccc5ccc2c3c54)cc1.Fc1ccc(-c2ccc3oc(-c4ccc(-c5cc(-c6ccccc6)c6ccc7cccc8ccc5c6c78)cc4)nc3c2)cc1.c1ccc(-n2c(-c3cc(-c4ccc(-c5ccc6ccccc6n5)cc4)c4ccc5cccc6ccc3c4c56)cc3ccccc32)cc1.c1ccc2oc(-c3cc(-c4ccc(-c5ccncc5)cc4)c4ccc5cccc6ccc3c4c56)cc2c1.c1ccc2oc(-c3ccc(-c4cc(-c5ccc(-c6ccncc6)cc5)c5ccc6cccc7ccc4c5c67)cc3)cc2c1.c1ccc2oc(-c3ccc(-c4cc(-c5ccncc5)c5ccc6cccc7ccc4c5c67)cc3)cc2c1
InChIInChI=1S/C45H28N2.C42H28N2.C41H24FNO.C41H25NO.2C35H21NO.C33H20FN/c1-2-13-35(14-3-1)47-42-16-7-5-10-34(42)27-43(47)39-28-38(36-24-21-32-11-8-12-33-22-25-37(39)45(36)44(32)33)29-17-19-31(20-18-29)41-26-23-30-9-4-6-15-40(30)46-41;1-44-39-13-6-5-12-38(39)43-42(44)33-20-18-30(19-21-33)37-26-36(29-16-14-28(15-17-29)27-8-3-2-4-9-27)34-24-22-31-10-7-11-32-23-25-35(37)41(34)40(31)32;42-32-18-13-25(14-19-32)31-17-22-38-37(23-31)43-41(44-38)30-11-9-27(10-12-30)36-24-35(26-5-2-1-3-6-26)33-20-15-28-7-4-8-29-16-21-34(36)40(33)39(28)29;1-2-7-38-33(4-1)24-39(43-38)30-14-12-29(13-15-30)37-25-36(28-10-8-26(9-11-28)27-20-22-42-23-21-27)34-18-16-31-5-3-6-32-17-19-35(37)41(34)40(31)32;1-2-7-32-27(4-1)20-33(37-32)24-10-8-22(9-11-24)30-21-31(23-16-18-36-19-17-23)29-15-13-26-6-3-5-25-12-14-28(30)35(29)34(25)26;1-2-7-32-27(4-1)20-33(37-32)31-21-30(24-10-8-22(9-11-24)23-16-18-36-19-17-23)28-14-12-25-5-3-6-26-13-15-29(31)35(28)34(25)26;34-26-15-11-22(12-16-26)30-20-29(21-7-9-23(10-8-21)31-6-1-2-19-35-31)27-17-13-24-4-3-5-25-14-18-28(30)33(27)32(24)25/h1-28H;2-26H,1H3;1-24H;1-25H;2*1-21H;1-20H
InChIKeyRGXXNVSSYOFPDQ-UHFFFAOYSA-N
MW3663.38 g/mol
LogP74.71
Rot. Bonds25

About 4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline

4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline (PubChem CID 160622912) has the molecular formula C272H167F2N9O4 and a molecular weight of 3663.38 g/mol. Its IUPAC name is 4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline.

Molecular Properties

Compound Name4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline
PubChem CID160622912
Molecular FormulaC272H167F2N9O4
Molecular Weight3663.38 g/mol
Exact Mass3660.31
IUPAC Name4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline
SMILESCn1c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4ccc5cccc6ccc3c4c56)cc2)nc2ccccc21.Fc1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)c3ccc4cccc5ccc2c3c54)cc1.Fc1ccc(-c2ccc3oc(-c4ccc(-c5cc(-c6ccccc6)c6ccc7cccc8ccc5c6c78)cc4)nc3c2)cc1.c1ccc(-n2c(-c3cc(-c4ccc(-c5ccc6ccccc6n5)cc4)c4ccc5cccc6ccc3c4c56)cc3ccccc32)cc1.c1ccc2oc(-c3cc(-c4ccc(-c5ccncc5)cc4)c4ccc5cccc6ccc3c4c56)cc2c1.c1ccc2oc(-c3ccc(-c4cc(-c5ccc(-c6ccncc6)cc5)c5ccc6cccc7ccc4c5c67)cc3)cc2c1.c1ccc2oc(-c3ccc(-c4cc(-c5ccncc5)c5ccc6cccc7ccc4c5c67)cc3)cc2c1
InChIInChI=1S/C45H28N2.C42H28N2.C41H24FNO.C41H25NO.2C35H21NO.C33H20FN/c1-2-13-35(14-3-1)47-42-16-7-5-10-34(42)27-43(47)39-28-38(36-24-21-32-11-8-12-33-22-25-37(39)45(36)44(32)33)29-17-19-31(20-18-29)41-26-23-30-9-4-6-15-40(30)46-41;1-44-39-13-6-5-12-38(39)43-42(44)33-20-18-30(19-21-33)37-26-36(29-16-14-28(15-17-29)27-8-3-2-4-9-27)34-24-22-31-10-7-11-32-23-25-35(37)41(34)40(31)32;42-32-18-13-25(14-19-32)31-17-22-38-37(23-31)43-41(44-38)30-11-9-27(10-12-30)36-24-35(26-5-2-1-3-6-26)33-20-15-28-7-4-8-29-16-21-34(36)40(33)39(28)29;1-2-7-38-33(4-1)24-39(43-38)30-14-12-29(13-15-30)37-25-36(28-10-8-26(9-11-28)27-20-22-42-23-21-27)34-18-16-31-5-3-6-32-17-19-35(37)41(34)40(31)32;1-2-7-32-27(4-1)20-33(37-32)24-10-8-22(9-11-24)30-21-31(23-16-18-36-19-17-23)29-15-13-26-6-3-5-25-12-14-28(30)35(29)34(25)26;1-2-7-32-27(4-1)20-33(37-32)31-21-30(24-10-8-22(9-11-24)23-16-18-36-19-17-23)28-14-12-25-5-3-6-26-13-15-29(31)35(28)34(25)26;34-26-15-11-22(12-16-26)30-20-29(21-7-9-23(10-8-21)31-6-1-2-19-35-31)27-17-13-24-4-3-5-25-14-18-28(30)33(27)32(24)25/h1-28H;2-26H,1H3;1-24H;1-25H;2*1-21H;1-20H
InChIKeyRGXXNVSSYOFPDQ-UHFFFAOYSA-N
XLogP74.71
TPSA152.65 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms287
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003663.38
LogP ≤ 574.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline with MolForge

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Related Compounds

5-(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90257208
2-[3-[3-[[2-(Difluoromethyl)-7-(pyrrolidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[(3-methylidenepyrrolidin-1-yl)methyl]-1,3-benzoxazole-7-carbonitrile
CID 139551461
2-[3-[3-[[6-(Difluoromethyl)-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-benzoxazole-7-carbonitrile
CID 139551481
2-[2-Methyl-3-[2-methyl-3-[[7-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]phenyl]-5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-benzoxazole-7-carbonitrile
CID 139551495
1-[[7-cyano-2-[3-[3-[[2-(difluoromethyl)-7-(pyrrolidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 139551504
CID 157119212
CID 157119212
5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-2-methyl-1,3-benzoxazole;2-methyl-5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole
CID 157232728
(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-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide
CID 157424244
1-(2,6-diphenylphenyl)-2-[5-(4-fluorophenyl)-9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 157463071
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
2,4-Diphenyl-6-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-1,3,5-triazine;6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]quinoline;3-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
CID 157749525

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline?
The IUPAC name of 4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline (CID 160622912) is 4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline.
What is the SMILES notation for 4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline?
The canonical SMILES for 4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline is Cn1c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4ccc5cccc6ccc3c4c56)cc2)nc2ccccc21.Fc1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)c3ccc4cccc5ccc2c3c54)cc1.Fc1ccc(-c2ccc3oc(-c4ccc(-c5cc(-c6ccccc6)c6ccc7cccc8ccc5c6c78)cc4)nc3c2)cc1.c1ccc(-n2c(-c3cc(-c4ccc(-c5ccc6ccccc6n5)cc4)c4ccc5cccc6ccc3c4c56)cc3ccccc32)cc1.c1ccc2oc(-c3cc(-c4ccc(-c5ccncc5)cc4)c4ccc5cccc6ccc3c4c56)cc2c1.c1ccc2oc(-c3ccc(-c4cc(-c5ccc(-c6ccncc6)cc5)c5ccc6cccc7ccc4c5c67)cc3)cc2c1.c1ccc2oc(-c3ccc(-c4cc(-c5ccncc5)c5ccc6cccc7ccc4c5c67)cc3)cc2c1.
What is the InChIKey of 4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline?
The InChIKey is RGXXNVSSYOFPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2.C42H28N2.C41H24FNO.C41H25NO.2C35H21NO.C33H20FN/c1-2-13-35(14-3-1)47-42-16-7-5-10-34(42)27-43(47)39-28-38(36-24-21-32-11-8-12-33-22-25-37(39)45(36)44(32)33)29-17-19-31(20-18-29)41-26-23-30-9-4-6-15-40(30)46-41;1-44-39-13-6-5-12-38(39)43-42(44)33-20-18-30(19-21-33)37-26-36(29-16-14-28(15-17-29)27-8-3-2-4-9-27)34-24-22-31-10-7-11-32-23-25-35(37)41(34)40(31)32;42-32-18-13-25(14-19-32)31-17-22-38-37(23-31)43-41(44-38)30-11-9-27(10-12-30)36-24-35(26-5-2-1-3-6-26)33-20-15-28-7-4-8-29-16-21-34(36)40(33)39(28)29;1-2-7-38-33(4-1)24-39(43-38)30-14-12-29(13-15-30)37-25-36(28-10-8-26(9-11-28)27-20-22-42-23-21-27)34-18-16-31-5-3-6-32-17-19-35(37)41(34)40(31)32;1-2-7-32-27(4-1)20-33(37-32)24-10-8-22(9-11-24)30-21-31(23-16-18-36-19-17-23)29-15-13-26-6-3-5-25-12-14-28(30)35(29)34(25)26;1-2-7-32-27(4-1)20-33(37-32)31-21-30(24-10-8-22(9-11-24)23-16-18-36-19-17-23)28-14-12-25-5-3-6-26-13-15-29(31)35(28)34(25)26;34-26-15-11-22(12-16-26)30-20-29(21-7-9-23(10-8-21)31-6-1-2-19-35-31)27-17-13-24-4-3-5-25-14-18-28(30)33(27)32(24)25/h1-28H;2-26H,1H3;1-24H;1-25H;2*1-21H;1-20H.
What are the key properties of 4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline?
4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline has a molecular weight of 3663.38 g/mol, XLogP of 74.71, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]pyridine;4-[4-[3-(1-benzofuran-2-yl)pyren-1-yl]phenyl]pyridine;5-(4-fluorophenyl)-2-[4-(3-phenylpyren-1-yl)phenyl]-1,3-benzoxazole;2-[4-[3-(4-fluorophenyl)pyren-1-yl]phenyl]pyridine;1-methyl-2-[4-[3-(4-phenylphenyl)pyren-1-yl]phenyl]benzimidazole;2-[4-[3-(1-phenylindol-2-yl)pyren-1-yl]phenyl]quinoline is sourced from PubChem (CID 160622912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).