6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline

C27H16N4 — CID 136675185

IUPAC6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1ccc2c(-c3ccc4c5ncnc5c5cccnc5c4[nH]3)c3ccccc3cc2c1
InChIInChI=1S/C27H16N4/c1-3-8-18-16(6-1)14-17-7-2-4-9-19(17)23(18)22-12-11-21-25-24(29-15-30-25)20-10-5-13-28-26(20)27(21)31-22/h1-15,31H
InChIKeyYDULEHKTRKGOPP-UHFFFAOYSA-N
MW396.45 g/mol
LogP6.63
Rot. Bonds1

About 6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline

6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 136675185) has the molecular formula C27H16N4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID136675185
Molecular FormulaC27H16N4
Molecular Weight396.45 g/mol
Exact Mass396.14
IUPAC Name6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1ccc2c(-c3ccc4c5ncnc5c5cccnc5c4[nH]3)c3ccccc3cc2c1
InChIInChI=1S/C27H16N4/c1-3-8-18-16(6-1)14-17-7-2-4-9-19(17)23(18)22-12-11-21-25-24(29-15-30-25)20-10-5-13-28-26(20)27(21)31-22/h1-15,31H
InChIKeyYDULEHKTRKGOPP-UHFFFAOYSA-N
XLogP6.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8H-imidazo[4,5-f][1,10]phenanthroline;ruthenium(2+)
CID 158548890
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
benzo[g]quinolin-10-amine
CID 23616349
2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 102048569
2-anthracen-9-yl-3-methylimidazo[4,5-f][1,10]phenanthroline
CID 58995814
2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 175295426
5-ethynyl-1,10-phenanthroline
CID 10703368
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
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
2-(2H-benzotriazol-4-yl)-6-bromo-7H-imidazo[4,5-f][1,10]phenanthroline
CID 149418343
3-(4-anthracen-9-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 145221321

Frequently Asked Questions

What is the IUPAC name of 6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline (CID 136675185) is 6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline is c1ccc2c(-c3ccc4c5ncnc5c5cccnc5c4[nH]3)c3ccccc3cc2c1.
What is the InChIKey of 6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is YDULEHKTRKGOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N4/c1-3-8-18-16(6-1)14-17-7-2-4-9-19(17)23(18)22-12-11-21-25-24(29-15-30-25)20-10-5-13-28-26(20)27(21)31-22/h1-15,31H.
What are the key properties of 6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline?
6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 396.45 g/mol, XLogP of 6.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anthracen-9-yl-7H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 136675185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).