4,7-di(carbazol-9-yl)-1,10-phenanthroline

C36H22N4 — CID 71721473

IUPAC4,7-di(carbazol-9-yl)-1,10-phenanthroline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccnc2c1ccc1c(-n3c4ccccc4c4ccccc43)ccnc12
InChIInChI=1S/C36H22N4/c1-5-13-29-23(9-1)24-10-2-6-14-30(24)39(29)33-19-21-37-35-27(33)17-18-28-34(20-22-38-36(28)35)40-31-15-7-3-11-25(31)26-12-4-8-16-32(26)40/h1-22H
InChIKeyZEPNEZBNLFFDDA-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.98
Rot. Bonds2

About 4,7-di(carbazol-9-yl)-1,10-phenanthroline

4,7-di(carbazol-9-yl)-1,10-phenanthroline (PubChem CID 71721473) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 4,7-di(carbazol-9-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-di(carbazol-9-yl)-1,10-phenanthroline
PubChem CID71721473
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name4,7-di(carbazol-9-yl)-1,10-phenanthroline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccnc2c1ccc1c(-n3c4ccccc4c4ccccc43)ccnc12
InChIInChI=1S/C36H22N4/c1-5-13-29-23(9-1)24-10-2-6-14-30(24)39(29)33-19-21-37-35-27(33)17-18-28-34(20-22-38-36(28)35)40-31-15-7-3-11-25(31)26-12-4-8-16-32(26)40/h1-22H
InChIKeyZEPNEZBNLFFDDA-UHFFFAOYSA-N
XLogP8.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.98
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(carbazol-9-yl)-1,10-phenanthroline?
The IUPAC name of 4,7-di(carbazol-9-yl)-1,10-phenanthroline (CID 71721473) is 4,7-di(carbazol-9-yl)-1,10-phenanthroline.
What is the SMILES notation for 4,7-di(carbazol-9-yl)-1,10-phenanthroline?
The canonical SMILES for 4,7-di(carbazol-9-yl)-1,10-phenanthroline is c1ccc2c(c1)c1ccccc1n2-c1ccnc2c1ccc1c(-n3c4ccccc4c4ccccc43)ccnc12.
What is the InChIKey of 4,7-di(carbazol-9-yl)-1,10-phenanthroline?
The InChIKey is ZEPNEZBNLFFDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-5-13-29-23(9-1)24-10-2-6-14-30(24)39(29)33-19-21-37-35-27(33)17-18-28-34(20-22-38-36(28)35)40-31-15-7-3-11-25(31)26-12-4-8-16-32(26)40/h1-22H.
What are the key properties of 4,7-di(carbazol-9-yl)-1,10-phenanthroline?
4,7-di(carbazol-9-yl)-1,10-phenanthroline has a molecular weight of 510.60 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-di(carbazol-9-yl)-1,10-phenanthroline is sourced from PubChem (CID 71721473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).