4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine

C115H78Br3Cl2N17O3 — CID 159227552

IUPAC4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
SMILESCc1[nH]c2ccccc2c1-c1nc2c3cc(N)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc([N+](=O)[O-])ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Clc1cccc(-c2cc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(Cl)c2)c1.Oc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C24H15BrCl2N2.C24H16N4O2.C24H18N4.C22H15N5.C21H14Br2N2O/c25-16-7-8-22-20(11-16)21(13-28-22)23-12-19(14-3-1-5-17(26)9-14)24(29-23)15-4-2-6-18(27)10-15;1-13-21(18-8-4-5-9-20(18)25-13)24-26-22-17-7-3-2-6-15(17)16-11-10-14(28(29)30)12-19(16)23(22)27-24;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25)12-19(16)23(22)28-24;1-12-17(13-6-2-3-9-16(13)25-12)22-26-20-14-7-4-10-23-18(14)19-15(21(20)27-22)8-5-11-24-19;22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)25-21(24-19)15-5-11-18(26)12-6-15/h1-13,28-29H;2-12,25H,1H3,(H,26,27);2-12,26H,25H2,1H3,(H,27,28);2-11,25H,1H3,(H,26,27);1-12,26H,(H,24,25)
InChIKeyKSMFZQUAEIZBFJ-UHFFFAOYSA-N
MW2056.62 g/mol
LogP32.47
Rot. Bonds10

About 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine

4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine (PubChem CID 159227552) has the molecular formula C115H78Br3Cl2N17O3 and a molecular weight of 2056.62 g/mol. Its IUPAC name is 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine.

Molecular Properties

Compound Name4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
PubChem CID159227552
Molecular FormulaC115H78Br3Cl2N17O3
Molecular Weight2056.62 g/mol
Exact Mass2051.34
IUPAC Name4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
SMILESCc1[nH]c2ccccc2c1-c1nc2c3cc(N)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc([N+](=O)[O-])ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Clc1cccc(-c2cc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(Cl)c2)c1.Oc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C24H15BrCl2N2.C24H16N4O2.C24H18N4.C22H15N5.C21H14Br2N2O/c25-16-7-8-22-20(11-16)21(13-28-22)23-12-19(14-3-1-5-17(26)9-14)24(29-23)15-4-2-6-18(27)10-15;1-13-21(18-8-4-5-9-20(18)25-13)24-26-22-17-7-3-2-6-15(17)16-11-10-14(28(29)30)12-19(16)23(22)27-24;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25)12-19(16)23(22)28-24;1-12-17(13-6-2-3-9-16(13)25-12)22-26-20-14-7-4-10-23-18(14)19-15(21(20)27-22)8-5-11-24-19;22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)25-21(24-19)15-5-11-18(26)12-6-15/h1-13,28-29H;2-12,25H,1H3,(H,26,27);2-12,26H,25H2,1H3,(H,27,28);2-11,25H,1H3,(H,26,27);1-12,26H,(H,24,25)
InChIKeyKSMFZQUAEIZBFJ-UHFFFAOYSA-N
XLogP32.47
TPSA308.84 Ų
H-Bond Donors11
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002056.62
LogP ≤ 532.47
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine with MolForge

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Related Compounds

4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 160651051
4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 161382968
4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[4-(3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 157154508
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 157425153
4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;2-methyl-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
CID 157669001
4-bromo-1H-indole;5-bromo-1H-indole;7-bromo-1H-indole;7-chloro-1H-indole;2,3-dihydro-1H-indene;bis(4-fluoro-1H-indole);5-fluoro-1H-indole;1H-indene;1H-indole;1H-indole-4-carbonitrile;1H-indole-7-carbonitrile;1H-indol-6-ol;7-iodo-1H-indole;2-methyl-1H-indole;hexakis(5-methyl-1H-indole);pentakis(6-methyl-1H-indole);4-nitro-1H-indole;6-nitro-1H-indole;7-nitro-1H-indole;1H-pyrrolo[2,3-b]pyridine
CID 160100764
2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;2-methyl-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
CID 160381435
4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 161853642

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?
The IUPAC name of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine (CID 159227552) is 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine.
What is the SMILES notation for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?
The canonical SMILES for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine is Cc1[nH]c2ccccc2c1-c1nc2c3cc(N)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc([N+](=O)[O-])ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Clc1cccc(-c2cc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(Cl)c2)c1.Oc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1.
What is the InChIKey of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?
The InChIKey is KSMFZQUAEIZBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrCl2N2.C24H16N4O2.C24H18N4.C22H15N5.C21H14Br2N2O/c25-16-7-8-22-20(11-16)21(13-28-22)23-12-19(14-3-1-5-17(26)9-14)24(29-23)15-4-2-6-18(27)10-15;1-13-21(18-8-4-5-9-20(18)25-13)24-26-22-17-7-3-2-6-15(17)16-11-10-14(28(29)30)12-19(16)23(22)27-24;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25)12-19(16)23(22)28-24;1-12-17(13-6-2-3-9-16(13)25-12)22-26-20-14-7-4-10-23-18(14)19-15(21(20)27-22)8-5-11-24-19;22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)25-21(24-19)15-5-11-18(26)12-6-15/h1-13,28-29H;2-12,25H,1H3,(H,26,27);2-12,26H,25H2,1H3,(H,27,28);2-11,25H,1H3,(H,26,27);1-12,26H,(H,24,25).
What are the key properties of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?
4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine has a molecular weight of 2056.62 g/mol, XLogP of 32.47, 10 rotatable bonds, 11 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-pyrrol-2-yl]-5-bromo-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine is sourced from PubChem (CID 159227552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).