5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

C102H82Br2N14O5 — CID 158017605

IUPAC5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(CN5CCCCC5)cc4)[nH]3)c2c1.CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.c1ccc(-c2[nH]c3ccccc3c2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C46H38BrN5O5.C29H27BrN4.C27H17N5/c1-46(2,3)57-40(53)22-39(50-45(55)56-24-37-30-13-6-4-10-27(30)28-11-5-7-14-31(28)37)44(54)49-26-17-18-32-29-12-8-9-15-33(29)41-42(35(32)21-26)52-43(51-41)36-23-48-38-19-16-25(47)20-34(36)38;30-23-13-14-26-24(17-23)25(18-31-26)29-32-27(21-7-3-1-4-8-21)28(33-29)22-11-9-20(10-12-22)19-34-15-5-2-6-16-34;1-2-8-16(9-3-1)22-21(17-10-4-5-13-20(17)30-22)27-31-25-18-11-6-14-28-23(18)24-19(26(25)32-27)12-7-15-29-24/h4-21,23,37,39,48H,22,24H2,1-3H3,(H,49,54)(H,50,55)(H,51,52);1,3-4,7-14,17-18,31H,2,5-6,15-16,19H2,(H,32,33);1-15,30H,(H,31,32)/t39-;;/m0../s1
InChIKeyFFQWGNIGSXFXFT-FUWCLIFTSA-N
MW1743.68 g/mol
LogP24.47
Rot. Bonds15

About 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 158017605) has the molecular formula C102H82Br2N14O5 and a molecular weight of 1743.68 g/mol. Its IUPAC name is 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID158017605
Molecular FormulaC102H82Br2N14O5
Molecular Weight1743.68 g/mol
Exact Mass1740.50
IUPAC Name5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(CN5CCCCC5)cc4)[nH]3)c2c1.CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.c1ccc(-c2[nH]c3ccccc3c2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C46H38BrN5O5.C29H27BrN4.C27H17N5/c1-46(2,3)57-40(53)22-39(50-45(55)56-24-37-30-13-6-4-10-27(30)28-11-5-7-14-31(28)37)44(54)49-26-17-18-32-29-12-8-9-15-33(29)41-42(35(32)21-26)52-43(51-41)36-23-48-38-19-16-25(47)20-34(36)38;30-23-13-14-26-24(17-23)25(18-31-26)29-32-27(21-7-3-1-4-8-21)28(33-29)22-11-9-20(10-12-22)19-34-15-5-2-6-16-34;1-2-8-16(9-3-1)22-21(17-10-4-5-13-20(17)30-22)27-31-25-18-11-6-14-28-23(18)24-19(26(25)32-27)12-7-15-29-24/h4-21,23,37,39,48H,22,24H2,1-3H3,(H,49,54)(H,50,55)(H,51,52);1,3-4,7-14,17-18,31H,2,5-6,15-16,19H2,(H,32,33);1-15,30H,(H,31,32)/t39-;;/m0../s1
InChIKeyFFQWGNIGSXFXFT-FUWCLIFTSA-N
XLogP24.47
TPSA256.16 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001743.68
LogP ≤ 524.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline with MolForge

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Related Compounds

tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]anilino]-4-oxobutanoate
CID 140613020
tert-butyl (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(prop-2-ynylamino)butanoyl]amino]-4-oxo-4-(prop-2-ynylamino)butanoyl]amino]-4-oxo-4-(prop-2-ynylamino)butanoyl]amino]-4-oxo-4-(prop-2-ynylamino)butanoate
CID 46845929
tert-butyl (3S)-3-[[(3S)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(prop-2-ynylamino)butanoyl]amino]-4-oxo-4-(prop-2-ynylamino)butanoyl]amino]-4-oxo-4-(prop-2-ynylamino)butanoate
CID 46845928
2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide
CID 58882280
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 7018816
4-O-tert-butyl 1-O-prop-2-enyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioate
CID 11662410
tert-butyl (4S)-5-(4-chloroanilino)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
CID 172686859
tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxohexanoate
CID 72802897
tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate
CID 164672229
1-O-benzyl 5-O-cyclohexyl (2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]pentanedioate
CID 42624902
tert-butyl (3S)-4-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]anilino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate
CID 150861641
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
CID 7009545

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 158017605) is 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(CN5CCCCC5)cc4)[nH]3)c2c1.CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.c1ccc(-c2[nH]c3ccccc3c2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is FFQWGNIGSXFXFT-FUWCLIFTSA-N. The full InChI is InChI=1S/C46H38BrN5O5.C29H27BrN4.C27H17N5/c1-46(2,3)57-40(53)22-39(50-45(55)56-24-37-30-13-6-4-10-27(30)28-11-5-7-14-31(28)37)44(54)49-26-17-18-32-29-12-8-9-15-33(29)41-42(35(32)21-26)52-43(51-41)36-23-48-38-19-16-25(47)20-34(36)38;30-23-13-14-26-24(17-23)25(18-31-26)29-32-27(21-7-3-1-4-8-21)28(33-29)22-11-9-20(10-12-22)19-34-15-5-2-6-16-34;1-2-8-16(9-3-1)22-21(17-10-4-5-13-20(17)30-22)27-31-25-18-11-6-14-28-23(18)24-19(26(25)32-27)12-7-15-29-24/h4-21,23,37,39,48H,22,24H2,1-3H3,(H,49,54)(H,50,55)(H,51,52);1,3-4,7-14,17-18,31H,2,5-6,15-16,19H2,(H,32,33);1-15,30H,(H,31,32)/t39-;;/m0../s1.
What are the key properties of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 1743.68 g/mol, XLogP of 24.47, 15 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;tert-butyl (3S)-4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 158017605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).