[2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate

C151H124N12O19S5 — CID 161475791

IUPAC[2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate
SMILESCC(C)(C)c1cc(-n2c(-c3ccccc3OS(C)(=O)=O)nc3c4ccccc4c4ccccc4c32)cc(C(C)(C)C)c1.COc1cc(-n2c(-c3ccccc3OS(C)(=O)=O)nc3c4ccccc4c4ccccc4c32)cc(C)c1OC.COc1ccc2c3ccc(OC)cc3c3c(nc(-c4ccccc4OS(C)(=O)=O)n3-c3ccccc3)c2c1.CS(=O)(=O)Oc1ccccc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1.CS(=O)(=O)Oc1ccccc1-c1nc2c3cccnc3c3ncccc3c2n1-c1ccccc1
InChIInChI=1S/C36H36N2O3S.C31H26N2O5S.C30H24N2O5S.C28H20N2O3S.C26H18N4O3S/c1-35(2,3)23-20-24(36(4,5)6)22-25(21-23)38-33-29-17-11-9-15-27(29)26-14-8-10-16-28(26)32(33)37-34(38)30-18-12-13-19-31(30)41-42(7,39)40;1-19-17-20(18-27(36-2)30(19)37-3)33-29-24-14-8-6-12-22(24)21-11-5-7-13-23(21)28(29)32-31(33)25-15-9-10-16-26(25)38-39(4,34)35;1-35-20-13-15-22-23-16-14-21(36-2)18-26(23)29-28(25(22)17-20)31-30(32(29)19-9-5-4-6-10-19)24-11-7-8-12-27(24)37-38(3,33)34;1-34(31,32)33-25-18-10-9-17-24(25)28-29-26-22-15-7-5-13-20(22)21-14-6-8-16-23(21)27(26)30(28)19-11-3-2-4-12-19;1-34(31,32)33-21-14-6-5-11-18(21)26-29-24-19-12-7-15-27-22(19)23-20(13-8-16-28-23)25(24)30(26)17-9-3-2-4-10-17/h8-22H,1-7H3;5-18H,1-4H3;4-18H,1-3H3;2-18H,1H3;2-16H,1H3
InChIKeyWDRRENNQZOTCRG-UHFFFAOYSA-N
MW2571.05 g/mol
LogP33.41
Rot. Bonds24

About [2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate

[2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate (PubChem CID 161475791) has the molecular formula C151H124N12O19S5 and a molecular weight of 2571.05 g/mol. Its IUPAC name is [2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate.

Molecular Properties

Compound Name[2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate
PubChem CID161475791
Molecular FormulaC151H124N12O19S5
Molecular Weight2571.05 g/mol
Exact Mass2568.77
IUPAC Name[2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate
SMILESCC(C)(C)c1cc(-n2c(-c3ccccc3OS(C)(=O)=O)nc3c4ccccc4c4ccccc4c32)cc(C(C)(C)C)c1.COc1cc(-n2c(-c3ccccc3OS(C)(=O)=O)nc3c4ccccc4c4ccccc4c32)cc(C)c1OC.COc1ccc2c3ccc(OC)cc3c3c(nc(-c4ccccc4OS(C)(=O)=O)n3-c3ccccc3)c2c1.CS(=O)(=O)Oc1ccccc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1.CS(=O)(=O)Oc1ccccc1-c1nc2c3cccnc3c3ncccc3c2n1-c1ccccc1
InChIInChI=1S/C36H36N2O3S.C31H26N2O5S.C30H24N2O5S.C28H20N2O3S.C26H18N4O3S/c1-35(2,3)23-20-24(36(4,5)6)22-25(21-23)38-33-29-17-11-9-15-27(29)26-14-8-10-16-28(26)32(33)37-34(38)30-18-12-13-19-31(30)41-42(7,39)40;1-19-17-20(18-27(36-2)30(19)37-3)33-29-24-14-8-6-12-22(24)21-11-5-7-13-23(21)28(29)32-31(33)25-15-9-10-16-26(25)38-39(4,34)35;1-35-20-13-15-22-23-16-14-21(36-2)18-26(23)29-28(25(22)17-20)31-30(32(29)19-9-5-4-6-10-19)24-11-7-8-12-27(24)37-38(3,33)34;1-34(31,32)33-25-18-10-9-17-24(25)28-29-26-22-15-7-5-13-20(22)21-14-6-8-16-23(21)27(26)30(28)19-11-3-2-4-12-19;1-34(31,32)33-21-14-6-5-11-18(21)26-29-24-19-12-7-15-27-22(19)23-20(13-8-16-28-23)25(24)30(26)17-9-3-2-4-10-17/h8-22H,1-7H3;5-18H,1-4H3;4-18H,1-3H3;2-18H,1H3;2-16H,1H3
InChIKeyWDRRENNQZOTCRG-UHFFFAOYSA-N
XLogP33.41
TPSA368.65 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms187
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002571.05
LogP ≤ 533.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate?
The IUPAC name of [2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate (CID 161475791) is [2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate.
What is the SMILES notation for [2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate?
The canonical SMILES for [2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate is CC(C)(C)c1cc(-n2c(-c3ccccc3OS(C)(=O)=O)nc3c4ccccc4c4ccccc4c32)cc(C(C)(C)C)c1.COc1cc(-n2c(-c3ccccc3OS(C)(=O)=O)nc3c4ccccc4c4ccccc4c32)cc(C)c1OC.COc1ccc2c3ccc(OC)cc3c3c(nc(-c4ccccc4OS(C)(=O)=O)n3-c3ccccc3)c2c1.CS(=O)(=O)Oc1ccccc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1.CS(=O)(=O)Oc1ccccc1-c1nc2c3cccnc3c3ncccc3c2n1-c1ccccc1.
What is the InChIKey of [2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate?
The InChIKey is WDRRENNQZOTCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2O3S.C31H26N2O5S.C30H24N2O5S.C28H20N2O3S.C26H18N4O3S/c1-35(2,3)23-20-24(36(4,5)6)22-25(21-23)38-33-29-17-11-9-15-27(29)26-14-8-10-16-28(26)32(33)37-34(38)30-18-12-13-19-31(30)41-42(7,39)40;1-19-17-20(18-27(36-2)30(19)37-3)33-29-24-14-8-6-12-22(24)21-11-5-7-13-23(21)28(29)32-31(33)25-15-9-10-16-26(25)38-39(4,34)35;1-35-20-13-15-22-23-16-14-21(36-2)18-26(23)29-28(25(22)17-20)31-30(32(29)19-9-5-4-6-10-19)24-11-7-8-12-27(24)37-38(3,33)34;1-34(31,32)33-25-18-10-9-17-24(25)28-29-26-22-15-7-5-13-20(22)21-14-6-8-16-23(21)27(26)30(28)19-11-3-2-4-12-19;1-34(31,32)33-21-14-6-5-11-18(21)26-29-24-19-12-7-15-27-22(19)23-20(13-8-16-28-23)25(24)30(26)17-9-3-2-4-10-17/h8-22H,1-7H3;5-18H,1-4H3;4-18H,1-3H3;2-18H,1H3;2-16H,1H3.
What are the key properties of [2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate?
[2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate has a molecular weight of 2571.05 g/mol, XLogP of 33.41, 24 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3,5-ditert-butylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-[3-(3,4-dimethoxy-5-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl] methanesulfonate;[2-(5,10-dimethoxy-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate;[2-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl] methanesulfonate;[2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] methanesulfonate is sourced from PubChem (CID 161475791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).