2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

C28H18N4O — CID 160807546

IUPAC2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESOn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21
InChIInChI=1S/C28H18N4O/c33-32-23-13-5-4-10-19(23)24(28(32)17-8-2-1-3-9-17)22-16-21-18-11-6-14-29-26(18)27-20(25(21)31-22)12-7-15-30-27/h1-15,33H,16H2
InChIKeyPGSNUOAQUDMLQM-UHFFFAOYSA-N
MW426.48 g/mol
LogP6.32
Rot. Bonds2

About 2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline

2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (PubChem CID 160807546) has the molecular formula C28H18N4O and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
PubChem CID160807546
Molecular FormulaC28H18N4O
Molecular Weight426.48 g/mol
Exact Mass426.15
IUPAC Name2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
SMILESOn1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21
InChIInChI=1S/C28H18N4O/c33-32-23-13-5-4-10-19(23)24(28(32)17-8-2-1-3-9-17)22-16-21-18-11-6-14-29-26(18)27-20(25(21)31-22)12-7-15-30-27/h1-15,33H,16H2
InChIKeyPGSNUOAQUDMLQM-UHFFFAOYSA-N
XLogP6.32
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis(3H-pyrrolo[3,2-f][1,7]phenanthrolin-2-yl)phenyl]-3H-pyrrolo[3,2-f][1,7]phenanthroline
CID 58803374
2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline
CID 159585735
N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline
CID 159031768
2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
CID 157451261
2-[5-(3H-pyrrolo[3,2-f][1,7]phenanthrolin-2-yl)anthracen-1-yl]-3H-pyrrolo[3,2-f][1,7]phenanthroline
CID 58803383
2-[4,6-bis(3H-pyrrolo[3,2-f][4,7]phenanthrolin-2-yl)-1,3,5-triazin-2-yl]-3H-pyrrolo[3,2-f][4,7]phenanthroline
CID 58803367
5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 176634623
9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
CID 70836919
2-(9,9-dimethylfluoren-2-yl)-3H-pyrrolo[3,2-f][1,7]phenanthroline
CID 58803381
5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole
CID 163513367
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 142336416

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The IUPAC name of 2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline (CID 160807546) is 2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The canonical SMILES for 2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is On1c(-c2ccccc2)c(C2=Nc3c(c4cccnc4c4ncccc34)C2)c2ccccc21.
What is the InChIKey of 2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
The InChIKey is PGSNUOAQUDMLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O/c33-32-23-13-5-4-10-19(23)24(28(32)17-8-2-1-3-9-17)22-16-21-18-11-6-14-29-26(18)27-20(25(21)31-22)12-7-15-30-27/h1-15,33H,16H2.
What are the key properties of 2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline?
2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline has a molecular weight of 426.48 g/mol, XLogP of 6.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-phenylindol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 160807546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).