2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene

C164H147F4Ir2N9O4-2 — CID 157121462

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CNCc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cc(C(=O)O)nn1C.Cc1cc(C(=O)O)nn1C.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir]
InChIInChI=1S/C52H40N2.C40H30.C36H44.C13H11F2N2.C11H6F2N.2C6H8N2O2.2Ir/c1-5-13-47(14-6-1)53(48-15-7-2-8-16-48)51-37-29-43(30-38-51)23-21-41-25-33-45(34-26-41)46-35-27-42(28-36-46)22-24-44-31-39-52(40-32-44)54(49-17-9-3-10-18-49)50-19-11-4-12-20-50;1-5-13-35(14-6-1)39(36-15-7-2-8-16-36)29-31-21-25-33(26-22-31)34-27-23-32(24-28-34)30-40(37-17-9-3-10-18-37)38-19-11-4-12-20-38;1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29;1-16-8-9-4-5-17-13(6-9)11-3-2-10(14)7-12(11)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-4-3-5(6(9)10)7-8(4)2;;/h1-40H;1-30H;13-20H,1-12H3;2,4-7,16H,8H2,1H3;1-4,6-7H;2*3H,1-2H3,(H,9,10);;/q;;;2*-1;;;;/b23-21+,24-22+;;;;;;;;
InChIKeyPTIHSTBIOOTWFT-MRKXKPBPSA-N
MW2768.46 g/mol
LogP42.31
Rot. Bonds24

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene (PubChem CID 157121462) has the molecular formula C164H147F4Ir2N9O4-2 and a molecular weight of 2768.46 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene
PubChem CID157121462
Molecular FormulaC164H147F4Ir2N9O4-2
Molecular Weight2768.46 g/mol
Exact Mass2768.08
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CNCc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cc(C(=O)O)nn1C.Cc1cc(C(=O)O)nn1C.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir]
InChIInChI=1S/C52H40N2.C40H30.C36H44.C13H11F2N2.C11H6F2N.2C6H8N2O2.2Ir/c1-5-13-47(14-6-1)53(48-15-7-2-8-16-48)51-37-29-43(30-38-51)23-21-41-25-33-45(34-26-41)46-35-27-42(28-36-46)22-24-44-31-39-52(40-32-44)54(49-17-9-3-10-18-49)50-19-11-4-12-20-50;1-5-13-35(14-6-1)39(36-15-7-2-8-16-36)29-31-21-25-33(26-22-31)34-27-23-32(24-28-34)30-40(37-17-9-3-10-18-37)38-19-11-4-12-20-38;1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29;1-16-8-9-4-5-17-13(6-9)11-3-2-10(14)7-12(11)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-4-3-5(6(9)10)7-8(4)2;;/h1-40H;1-30H;13-20H,1-12H3;2,4-7,16H,8H2,1H3;1-4,6-7H;2*3H,1-2H3,(H,9,10);;/q;;;2*-1;;;;/b23-21+,24-22+;;;;;;;;
InChIKeyPTIHSTBIOOTWFT-MRKXKPBPSA-N
XLogP42.31
TPSA154.53 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002768.46
LogP ≤ 542.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene (CID 157121462) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CNCc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cc(C(=O)O)nn1C.Cc1cc(C(=O)O)nn1C.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene?
The InChIKey is PTIHSTBIOOTWFT-MRKXKPBPSA-N. The full InChI is InChI=1S/C52H40N2.C40H30.C36H44.C13H11F2N2.C11H6F2N.2C6H8N2O2.2Ir/c1-5-13-47(14-6-1)53(48-15-7-2-8-16-48)51-37-29-43(30-38-51)23-21-41-25-33-45(34-26-41)46-35-27-42(28-36-46)22-24-44-31-39-52(40-32-44)54(49-17-9-3-10-18-49)50-19-11-4-12-20-50;1-5-13-35(14-6-1)39(36-15-7-2-8-16-36)29-31-21-25-33(26-22-31)34-27-23-32(24-28-34)30-40(37-17-9-3-10-18-37)38-19-11-4-12-20-38;1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29;1-16-8-9-4-5-17-13(6-9)11-3-2-10(14)7-12(11)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-4-3-5(6(9)10)7-8(4)2;;/h1-40H;1-30H;13-20H,1-12H3;2,4-7,16H,8H2,1H3;1-4,6-7H;2*3H,1-2H3,(H,9,10);;/q;;;2*-1;;;;/b23-21+,24-22+;;;;;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene?
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene has a molecular weight of 2768.46 g/mol, XLogP of 42.31, 24 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;bis(1,5-dimethylpyrazole-3-carboxylic acid);1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;bis(iridium);2,5,8,11-tetratert-butylperylene is sourced from PubChem (CID 157121462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).