6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline

C50H42N4 — CID 91195332

IUPAC6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline
SMILESCCc1cc(-c2cc(-c3cc(CC)cc4cccnc34)c(-c3cc(CC)cc4cccnc34)cc2-c2cc(CC)cc3cccnc23)c2ncccc2c1
InChIInChI=1S/C50H42N4/c1-5-31-21-35-13-9-17-51-47(35)43(25-31)39-29-41(45-27-33(7-3)23-37-15-11-19-53-49(37)45)42(46-28-34(8-4)24-38-16-12-20-54-50(38)46)30-40(39)44-26-32(6-2)22-36-14-10-18-52-48(36)44/h9-30H,5-8H2,1-4H3
InChIKeyGKKJIQWKXBYFTR-UHFFFAOYSA-N
MW698.91 g/mol
LogP12.80
Rot. Bonds8

About 6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline

6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline (PubChem CID 91195332) has the molecular formula C50H42N4 and a molecular weight of 698.91 g/mol. Its IUPAC name is 6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline.

Molecular Properties

Compound Name6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline
PubChem CID91195332
Molecular FormulaC50H42N4
Molecular Weight698.91 g/mol
Exact Mass698.34
IUPAC Name6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline
SMILESCCc1cc(-c2cc(-c3cc(CC)cc4cccnc34)c(-c3cc(CC)cc4cccnc34)cc2-c2cc(CC)cc3cccnc23)c2ncccc2c1
InChIInChI=1S/C50H42N4/c1-5-31-21-35-13-9-17-51-47(35)43(25-31)39-29-41(45-27-33(7-3)23-37-15-11-19-53-49(37)45)42(46-28-34(8-4)24-38-16-12-20-54-50(38)46)30-40(39)44-26-32(6-2)22-36-14-10-18-52-48(36)44/h9-30H,5-8H2,1-4H3
InChIKeyGKKJIQWKXBYFTR-UHFFFAOYSA-N
XLogP12.80
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.91
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline with MolForge

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Related Compounds

5-Methyl-1,10-phenanthroline
CID 72791
4-(4-Dimethylaminostyryl)quinoline
CID 668053
5,6-Dimethyl-1,10-phenanthroline
CID 76357
6,6'-Biquinoline
CID 620711
Quinoprazine
CID 159481
8-(3-Azido-phenyl)-6-pyridin-4-ylmethyl-quinoline
CID 10404815
6,10-Diaza-1,5(1,4)-diquinolin-1-iuma-3(1,3),8(1,4)-dibenzenacyclodecaphane-11,51-diium
CID 656733
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyridin-4-yl)quinoline
CID 46890523
2-Isoquinolin-3-ylquinoline
CID 620696
1-[[4-[2-[4-[(4-Aminoquinolin-1-ium-1-yl)methyl]phenyl]ethyl]phenyl]methyl]quinolin-1-ium-4-amine dibromide
CID 10628095
Naphtho[2,3-h]quinoline
CID 6774
Thebenidine
CID 9133

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline?
The IUPAC name of 6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline (CID 91195332) is 6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline.
What is the SMILES notation for 6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline?
The canonical SMILES for 6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline is CCc1cc(-c2cc(-c3cc(CC)cc4cccnc34)c(-c3cc(CC)cc4cccnc34)cc2-c2cc(CC)cc3cccnc23)c2ncccc2c1.
What is the InChIKey of 6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline?
The InChIKey is GKKJIQWKXBYFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N4/c1-5-31-21-35-13-9-17-51-47(35)43(25-31)39-29-41(45-27-33(7-3)23-37-15-11-19-53-49(37)45)42(46-28-34(8-4)24-38-16-12-20-54-50(38)46)30-40(39)44-26-32(6-2)22-36-14-10-18-52-48(36)44/h9-30H,5-8H2,1-4H3.
What are the key properties of 6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline?
6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline has a molecular weight of 698.91 g/mol, XLogP of 12.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-[2,4,5-tris(6-ethylquinolin-8-yl)phenyl]quinoline is sourced from PubChem (CID 91195332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).