2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

C29H20N4O — CID 159583307

IUPAC2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESc1ccc(COc2ccc3[nH]cc(C4=Nc5c(c6cccnc6c6ncccc56)C4)c3c2)cc1
InChIInChI=1S/C29H20N4O/c1-2-6-18(7-3-1)17-34-19-10-11-25-22(14-19)24(16-32-25)26-15-23-20-8-4-12-30-28(20)29-21(27(23)33-26)9-5-13-31-29/h1-14,16,32H,15,17H2
InChIKeySFARRGIUNMFARK-UHFFFAOYSA-N
MW440.51 g/mol
LogP6.52
Rot. Bonds4

About 2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (PubChem CID 159583307) has the molecular formula C29H20N4O and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
PubChem CID159583307
Molecular FormulaC29H20N4O
Molecular Weight440.51 g/mol
Exact Mass440.16
IUPAC Name2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESc1ccc(COc2ccc3[nH]cc(C4=Nc5c(c6cccnc6c6ncccc56)C4)c3c2)cc1
InChIInChI=1S/C29H20N4O/c1-2-6-18(7-3-1)17-34-19-10-11-25-22(14-19)24(16-32-25)26-15-23-20-8-4-12-30-28(20)29-21(27(23)33-26)9-5-13-31-29/h1-14,16,32H,15,17H2
InChIKeySFARRGIUNMFARK-UHFFFAOYSA-N
XLogP6.52
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 16733534
9-Methoxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium iodide
CID 3086380
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
Ditercalinium
CID 3119
3-(9-Methoxy-5,11-dimethylpyrido(4,3-b)carbazol-6-yl)propan-1-amine
CID 425818
(2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-amine
CID 6914611
6-{5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 10194205
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-ethenylpyridin-3-yl}isoquinoline
CID 23647571
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-4-methylpyridin-3-yl}isoquinoline
CID 23647575
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-ethylisoquinoline
CID 23647583
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-ethenylisoquinoline
CID 23647584

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The IUPAC name of 2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (CID 159583307) is 2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The canonical SMILES for 2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is c1ccc(COc2ccc3[nH]cc(C4=Nc5c(c6cccnc6c6ncccc56)C4)c3c2)cc1.
What is the InChIKey of 2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The InChIKey is SFARRGIUNMFARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O/c1-2-6-18(7-3-1)17-34-19-10-11-25-22(14-19)24(16-32-25)26-15-23-20-8-4-12-30-28(20)29-21(27(23)33-26)9-5-13-31-29/h1-14,16,32H,15,17H2.
What are the key properties of 2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline has a molecular weight of 440.51 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylmethoxy-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 159583307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).