4,7-di(indol-1-yl)-1,10-phenanthroline

C28H18N4 — CID 102455108

IUPAC4,7-di(indol-1-yl)-1,10-phenanthroline
SMILESc1ccc2c(c1)ccn2-c1ccnc2c1ccc1c(-n3ccc4ccccc43)ccnc12
InChIInChI=1S/C28H18N4/c1-3-7-23-19(5-1)13-17-31(23)25-11-15-29-27-21(25)9-10-22-26(12-16-30-28(22)27)32-18-14-20-6-2-4-8-24(20)32/h1-18H
InChIKeyQDZLVYPPSBYUAD-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.67
Rot. Bonds2

About 4,7-di(indol-1-yl)-1,10-phenanthroline

4,7-di(indol-1-yl)-1,10-phenanthroline (PubChem CID 102455108) has the molecular formula C28H18N4 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4,7-di(indol-1-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-di(indol-1-yl)-1,10-phenanthroline
PubChem CID102455108
Molecular FormulaC28H18N4
Molecular Weight410.48 g/mol
Exact Mass410.15
IUPAC Name4,7-di(indol-1-yl)-1,10-phenanthroline
SMILESc1ccc2c(c1)ccn2-c1ccnc2c1ccc1c(-n3ccc4ccccc43)ccnc12
InChIInChI=1S/C28H18N4/c1-3-7-23-19(5-1)13-17-31(23)25-11-15-29-27-21(25)9-10-22-26(12-16-30-28(22)27)32-18-14-20-6-2-4-8-24(20)32/h1-18H
InChIKeyQDZLVYPPSBYUAD-UHFFFAOYSA-N
XLogP6.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-di(indol-1-yl)-1,10-phenanthroline?
The IUPAC name of 4,7-di(indol-1-yl)-1,10-phenanthroline (CID 102455108) is 4,7-di(indol-1-yl)-1,10-phenanthroline.
What is the SMILES notation for 4,7-di(indol-1-yl)-1,10-phenanthroline?
The canonical SMILES for 4,7-di(indol-1-yl)-1,10-phenanthroline is c1ccc2c(c1)ccn2-c1ccnc2c1ccc1c(-n3ccc4ccccc43)ccnc12.
What is the InChIKey of 4,7-di(indol-1-yl)-1,10-phenanthroline?
The InChIKey is QDZLVYPPSBYUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4/c1-3-7-23-19(5-1)13-17-31(23)25-11-15-29-27-21(25)9-10-22-26(12-16-30-28(22)27)32-18-14-20-6-2-4-8-24(20)32/h1-18H.
What are the key properties of 4,7-di(indol-1-yl)-1,10-phenanthroline?
4,7-di(indol-1-yl)-1,10-phenanthroline has a molecular weight of 410.48 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-di(indol-1-yl)-1,10-phenanthroline is sourced from PubChem (CID 102455108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).