5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine

C44H37N3 — CID 176668842

IUPAC5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
SMILESCc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3cccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1
InChIInChI=1S/C44H37N3/c1-30-21-23-32(24-22-30)37-29-36(31-25-27-33(28-26-31)44(2,3)4)35-15-12-20-42(43(35)45-37)47-40-18-10-8-16-38(40)46(34-13-6-5-7-14-34)39-17-9-11-19-41(39)47/h5-29H,1-4H3
InChIKeyRVNFMUAGEKVXFL-UHFFFAOYSA-N
MW607.80 g/mol
LogP12.43
Rot. Bonds4

About 5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine

5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine (PubChem CID 176668842) has the molecular formula C44H37N3 and a molecular weight of 607.80 g/mol. Its IUPAC name is 5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
PubChem CID176668842
Molecular FormulaC44H37N3
Molecular Weight607.80 g/mol
Exact Mass607.30
IUPAC Name5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
SMILESCc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3cccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1
InChIInChI=1S/C44H37N3/c1-30-21-23-32(24-22-30)37-29-36(31-25-27-33(28-26-31)44(2,3)4)35-15-12-20-42(43(35)45-37)47-40-18-10-8-16-38(40)46(34-13-6-5-7-14-34)39-17-9-11-19-41(39)47/h5-29H,1-4H3
InChIKeyRVNFMUAGEKVXFL-UHFFFAOYSA-N
XLogP12.43
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.80
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668846
5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668899
4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid
CID 176669029
4,7-bis(4-tert-butylphenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909450
2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline
CID 177454464
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
CID 176669074
4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile
CID 176669075
5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine
CID 166052792
4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile
CID 176668684
ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate
CID 176668908
4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole
CID 56931635

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine (CID 176668842) is 5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine is Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3cccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1.
What is the InChIKey of 5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine?
The InChIKey is RVNFMUAGEKVXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N3/c1-30-21-23-32(24-22-30)37-29-36(31-25-27-33(28-26-31)44(2,3)4)35-15-12-20-42(43(35)45-37)47-40-18-10-8-16-38(40)46(34-13-6-5-7-14-34)39-17-9-11-19-41(39)47/h5-29H,1-4H3.
What are the key properties of 5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine?
5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine has a molecular weight of 607.80 g/mol, XLogP of 12.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176668842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).