4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline

C33H25N5 — CID 101239314

IUPAC4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline
SMILESCCn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2c3cccnc3c3ncccc3c21
InChIInChI=1S/C33H25N5/c1-2-37-32-28-16-10-22-35-30(28)29-27(15-9-21-34-29)31(32)36-33(37)23-17-19-26(20-18-23)38(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-22H,2H2,1H3
InChIKeySBGYYTYELVXQCY-UHFFFAOYSA-N
MW491.60 g/mol
LogP8.29
Rot. Bonds5

About 4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline

4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline (PubChem CID 101239314) has the molecular formula C33H25N5 and a molecular weight of 491.60 g/mol. Its IUPAC name is 4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline
PubChem CID101239314
Molecular FormulaC33H25N5
Molecular Weight491.60 g/mol
Exact Mass491.21
IUPAC Name4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline
SMILESCCn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2c3cccnc3c3ncccc3c21
InChIInChI=1S/C33H25N5/c1-2-37-32-28-16-10-22-35-30(28)29-27(15-9-21-34-29)31(32)36-33(37)23-17-19-26(20-18-23)38(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-22H,2H2,1H3
InChIKeySBGYYTYELVXQCY-UHFFFAOYSA-N
XLogP8.29
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
Osi-906
CID 11640390
2-Amino-3,4,8-trimethylimidazo(4,5-f)quinoxaline
CID 104739
Apto-253
CID 11960271
CR-4056
CID 24898732
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Bag-956
CID 24882589
N-Hydroxy-3-methyl-3H-imidazo(4,5-f)quinolin-2-amine
CID 105079
1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52945312
(8S)-N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11610819
B 220
CID 130705

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline (CID 101239314) is 4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline is CCn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2c3cccnc3c3ncccc3c21.
What is the InChIKey of 4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline?
The InChIKey is SBGYYTYELVXQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5/c1-2-37-32-28-16-10-22-35-30(28)29-27(15-9-21-34-29)31(32)36-33(37)23-17-19-26(20-18-23)38(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-22H,2H2,1H3.
What are the key properties of 4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline?
4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline has a molecular weight of 491.60 g/mol, XLogP of 8.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 101239314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).