2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

C144H97FN20O2 — CID 158050100

IUPAC2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESCOn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Cn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Fc1ccc(-c2[nH]c3ccccc3c2C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1.c1ccc(COc2cccc3c(C4=Nc5c(c6cccnc6c6ncccc56)C4)c[nH]c23)cc1.c1ccc(Cn2cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c3ccccc32)cc1
InChIInChI=1S/2C29H20N4O.2C29H20N4.C28H17FN4/c1-34-33-24-14-6-5-11-20(24)25(29(33)18-9-3-2-4-10-18)23-17-22-19-12-7-15-30-27(19)28-21(26(22)32-23)13-8-16-31-28;1-2-7-18(8-3-1)17-34-25-12-4-9-20-23(16-32-27(20)25)24-15-22-19-10-5-13-30-28(19)29-21(26(22)33-24)11-6-14-31-29;1-33-24-14-6-5-11-20(24)25(29(33)18-9-3-2-4-10-18)23-17-22-19-12-7-15-30-27(19)28-21(26(22)32-23)13-8-16-31-28;1-2-8-19(9-3-1)17-33-18-24(20-10-4-5-13-26(20)33)25-16-23-21-11-6-14-30-28(21)29-22(27(23)32-25)12-7-15-31-29;29-17-11-9-16(10-12-17)25-24(19-5-1-2-8-22(19)32-25)23-15-21-18-6-3-13-30-27(18)28-20(26(21)33-23)7-4-14-31-28/h2-16H,17H2,1H3;1-14,16,32H,15,17H2;2-16H,17H2,1H3;1-15,18H,16-17H2;1-14,32H,15H2
InChIKeyFJJIUABUBBUGAL-UHFFFAOYSA-N
MW2158.50 g/mol
LogP32.49
Rot. Bonds14

About 2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (PubChem CID 158050100) has the molecular formula C144H97FN20O2 and a molecular weight of 2158.50 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
PubChem CID158050100
Molecular FormulaC144H97FN20O2
Molecular Weight2158.50 g/mol
Exact Mass2156.81
IUPAC Name2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESCOn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Cn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Fc1ccc(-c2[nH]c3ccccc3c2C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1.c1ccc(COc2cccc3c(C4=Nc5c(c6cccnc6c6ncccc56)C4)c[nH]c23)cc1.c1ccc(Cn2cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c3ccccc32)cc1
InChIInChI=1S/2C29H20N4O.2C29H20N4.C28H17FN4/c1-34-33-24-14-6-5-11-20(24)25(29(33)18-9-3-2-4-10-18)23-17-22-19-12-7-15-30-27(19)28-21(26(22)32-23)13-8-16-31-28;1-2-7-18(8-3-1)17-34-25-12-4-9-20-23(16-32-27(20)25)24-15-22-19-10-5-13-30-28(19)29-21(26(22)33-24)11-6-14-31-29;1-33-24-14-6-5-11-20(24)25(29(33)18-9-3-2-4-10-18)23-17-22-19-12-7-15-30-27(19)28-21(26(22)32-23)13-8-16-31-28;1-2-8-19(9-3-1)17-33-18-24(20-10-4-5-13-26(20)33)25-16-23-21-11-6-14-30-28(21)29-22(27(23)32-25)12-7-15-31-29;29-17-11-9-16(10-12-17)25-24(19-5-1-2-8-22(19)32-25)23-15-21-18-6-3-13-30-27(18)28-20(26(21)33-23)7-4-14-31-28/h2-16H,17H2,1H3;1-14,16,32H,15,17H2;2-16H,17H2,1H3;1-15,18H,16-17H2;1-14,32H,15H2
InChIKeyFJJIUABUBBUGAL-UHFFFAOYSA-N
XLogP32.49
TPSA255.53 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002158.50
LogP ≤ 532.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline with MolForge

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Related Compounds

2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;8-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 158175997
5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 159566042
2-(5,6-difluoro-3H-inden-1-yl)-6-methylquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline)
CID 159836801
4-[1-(Cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile
CID 163606993
29-Dodecoxy-8-(5-dodecoxy-6,9-dimethyl-1,10-phenanthrolin-2-yl)-4,18,22,30,38,39-hexamethyl-13-phenyl-6,11,15,20,34,37-hexazadecacyclo[23.8.4.19,12.114,17.02,10.03,7.016,24.019,23.028,36.031,35]nonatriaconta-1(34),2,4,7,9,12(39),14(38),16(24),17,19(23),21,25(37),26,28,30,32,35-heptadecaene
CID 89988778
5-Dodecoxy-2-[4-[6-dodecoxy-5-methyl-9-(3,4,7-trimethyl-1,5-dihydropyrrolo[2,3-f]indol-8-yl)-1,10-phenanthrolin-2-yl]-3,7-dimethyl-1,5-dihydropyrrolo[2,3-f]indol-8-yl]-6,9-dimethyl-1,10-phenanthroline
CID 89988780
5-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)-N,N-dimethyl-2-[[5-(1-methylindol-5-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-1-yl]oxymethyl]aniline
CID 123208931
N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
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7-(9,9-dimethylacridin-10-yl)-1,10-diphenylpyrrolo[2,3-a]carbazole;10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-3,7-dimethylphenoxazine;10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine;N,N,1,10-tetraphenylpyrrolo[2,3-a]carbazol-7-amine
CID 157081148
CID 157149179
CID 157149179
10-(4-anthracen-9-ylphenyl)-1,2-diphenylpyrrolo[2,3-a]carbazole;10-[3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;N-[4-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
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N-(4-carbazol-9-ylphenyl)-N,10-diphenylphenanthro[9,10-b]pyrazin-7-amine;7-(2-carbazol-9-yl-10-phenylphenazin-5-yl)-10-phenylphenanthro[9,10-b]pyrazine;3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenoxazine
CID 157203767

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The IUPAC name of 2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (CID 158050100) is 2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The canonical SMILES for 2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is COn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Cn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.Fc1ccc(-c2[nH]c3ccccc3c2C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1.c1ccc(COc2cccc3c(C4=Nc5c(c6cccnc6c6ncccc56)C4)c[nH]c23)cc1.c1ccc(Cn2cc(C3=Nc4c(c5cccnc5c5ncccc45)C3)c3ccccc32)cc1.
What is the InChIKey of 2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The InChIKey is FJJIUABUBBUGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H20N4O.2C29H20N4.C28H17FN4/c1-34-33-24-14-6-5-11-20(24)25(29(33)18-9-3-2-4-10-18)23-17-22-19-12-7-15-30-27(19)28-21(26(22)32-23)13-8-16-31-28;1-2-7-18(8-3-1)17-34-25-12-4-9-20-23(16-32-27(20)25)24-15-22-19-10-5-13-30-28(19)29-21(26(22)33-24)11-6-14-31-29;1-33-24-14-6-5-11-20(24)25(29(33)18-9-3-2-4-10-18)23-17-22-19-12-7-15-30-27(19)28-21(26(22)32-23)13-8-16-31-28;1-2-8-19(9-3-1)17-33-18-24(20-10-4-5-13-26(20)33)25-16-23-21-11-6-14-30-28(21)29-22(27(23)32-25)12-7-15-31-29;29-17-11-9-16(10-12-17)25-24(19-5-1-2-8-22(19)32-25)23-15-21-18-6-3-13-30-27(18)28-20(26(21)33-23)7-4-14-31-28/h2-16H,17H2,1H3;1-14,16,32H,15,17H2;2-16H,17H2,1H3;1-15,18H,16-17H2;1-14,32H,15H2.
What are the key properties of 2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline has a molecular weight of 2158.50 g/mol, XLogP of 32.49, 14 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methoxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(1-methyl-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline;2-(7-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 158050100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).