4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline

C39H29N3 — CID 130396225

IUPAC4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3c(-c5ccccc5)ccnc34)cc2)c2ccccc21
InChIInChI=1S/C39H29N3/c1-39(2)33-12-6-8-14-35(33)42(36-15-9-7-13-34(36)39)28-18-16-27(17-19-28)30-23-25-41-38-32(30)21-20-31-29(22-24-40-37(31)38)26-10-4-3-5-11-26/h3-25H,1-2H3
InChIKeyVSUDSPUAAFIVDZ-UHFFFAOYSA-N
MW539.68 g/mol
LogP10.23
Rot. Bonds3

About 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline

4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline (PubChem CID 130396225) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline
PubChem CID130396225
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC Name4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3c(-c5ccccc5)ccnc34)cc2)c2ccccc21
InChIInChI=1S/C39H29N3/c1-39(2)33-12-6-8-14-35(33)42(36-15-9-7-13-34(36)39)28-18-16-27(17-19-28)30-23-25-41-38-32(30)21-20-31-29(22-24-40-37(31)38)26-10-4-3-5-11-26/h3-25H,1-2H3
InChIKeyVSUDSPUAAFIVDZ-UHFFFAOYSA-N
XLogP10.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline
CID 140809363
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 118532601
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244961
10-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244948
9,9-dimethyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)acridine
CID 118472936

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline?
The IUPAC name of 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline (CID 130396225) is 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline.
What is the SMILES notation for 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline?
The canonical SMILES for 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline is CC1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3c(-c5ccccc5)ccnc34)cc2)c2ccccc21.
What is the InChIKey of 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline?
The InChIKey is VSUDSPUAAFIVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-39(2)33-12-6-8-14-35(33)42(36-15-9-7-13-34(36)39)28-18-16-27(17-19-28)30-23-25-41-38-32(30)21-20-31-29(22-24-40-37(31)38)26-10-4-3-5-11-26/h3-25H,1-2H3.
What are the key properties of 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline?
4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline has a molecular weight of 539.68 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline is sourced from PubChem (CID 130396225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).