7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline

C69H48N10O — CID 123766438

IUPAC7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline
SMILESCOc1cc(-c2cnc3c(ccc4ccc(CCc5ccc6ccc(-c7ccnc8c7ccc7ccc(CCc9cnc%10ccccc%10n9)nc78)cc6n5)nc43)c2)cc2ccc(CCc3ccc4ccc5cccnc5c4n3)nc12
InChIInChI=1S/C69H48N10O/c1-80-62-38-49(35-47-18-24-52(76-63(47)62)27-28-54-21-15-43-10-9-42-5-4-33-70-64(42)66(43)77-54)50-36-48-13-11-44-16-22-53(78-67(44)65(48)73-39-50)26-25-51-20-14-41-8-12-46(37-61(41)74-51)57-32-34-71-69-58(57)31-19-45-17-23-55(79-68(45)69)29-30-56-40-72-59-6-2-3-7-60(59)75-56/h2-24,31-40H,25-30H2,1H3
InChIKeyPRCZJVITUHIFOY-UHFFFAOYSA-N
MW1033.21 g/mol
LogP14.71
Rot. Bonds12

About 7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline

7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline (PubChem CID 123766438) has the molecular formula C69H48N10O and a molecular weight of 1033.21 g/mol. Its IUPAC name is 7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline.

Molecular Properties

Compound Name7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline
PubChem CID123766438
Molecular FormulaC69H48N10O
Molecular Weight1033.21 g/mol
Exact Mass1032.40
IUPAC Name7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline
SMILESCOc1cc(-c2cnc3c(ccc4ccc(CCc5ccc6ccc(-c7ccnc8c7ccc7ccc(CCc9cnc%10ccccc%10n9)nc78)cc6n5)nc43)c2)cc2ccc(CCc3ccc4ccc5cccnc5c4n3)nc12
InChIInChI=1S/C69H48N10O/c1-80-62-38-49(35-47-18-24-52(76-63(47)62)27-28-54-21-15-43-10-9-42-5-4-33-70-64(42)66(43)77-54)50-36-48-13-11-44-16-22-53(78-67(44)65(48)73-39-50)26-25-51-20-14-41-8-12-46(37-61(41)74-51)57-32-34-71-69-58(57)31-19-45-17-23-55(79-68(45)69)29-30-56-40-72-59-6-2-3-7-60(59)75-56/h2-24,31-40H,25-30H2,1H3
InChIKeyPRCZJVITUHIFOY-UHFFFAOYSA-N
XLogP14.71
TPSA138.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001033.21
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline with MolForge

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Related Compounds

N,N-dimethyl-3-[4-(1,10-phenanthrolin-4-yl)butoxy]aniline;bis(2-pyridin-2-ylpyridine)
CID 72199317
8-Methoxy-2-{[4-(3-pyridinyl)-1-piperazinyl]methyl}quinoline
CID 28312308
2-[2-(8-Methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline
CID 70114363
4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
1-(1,10-Phenanthrolin-3-yloxy)-3-(1,10-phenanthrolin-8-yloxy)propan-2-amine
CID 10011125
4,7-Bis(4-methoxyphenyl)-1,10-phenanthroline
CID 57356965
2,3-Bis(quinolin-8-yloxymethyl)quinoxaline
CID 76323629
2-(Difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline
CID 15239037
4-[[2,6-Difluoro-4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine
CID 59392644
4-[[2,6-Difluoro-4-[3-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine
CID 59392801
Iridium;8-methanidyloxyquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 59422935
2-(Difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline
CID 126507666

Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
The IUPAC name of 7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline (CID 123766438) is 7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline.
What is the SMILES notation for 7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
The canonical SMILES for 7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline is COc1cc(-c2cnc3c(ccc4ccc(CCc5ccc6ccc(-c7ccnc8c7ccc7ccc(CCc9cnc%10ccccc%10n9)nc78)cc6n5)nc43)c2)cc2ccc(CCc3ccc4ccc5cccnc5c4n3)nc12.
What is the InChIKey of 7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
The InChIKey is PRCZJVITUHIFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N10O/c1-80-62-38-49(35-47-18-24-52(76-63(47)62)27-28-54-21-15-43-10-9-42-5-4-33-70-64(42)66(43)77-54)50-36-48-13-11-44-16-22-53(78-67(44)65(48)73-39-50)26-25-51-20-14-41-8-12-46(37-61(41)74-51)57-32-34-71-69-58(57)31-19-45-17-23-55(79-68(45)69)29-30-56-40-72-59-6-2-3-7-60(59)75-56/h2-24,31-40H,25-30H2,1H3.
What are the key properties of 7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline has a molecular weight of 1033.21 g/mol, XLogP of 14.71, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-[8-[8-methoxy-2-[2-(1,10-phenanthrolin-2-yl)ethyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]ethyl]quinolin-7-yl]-2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline is sourced from PubChem (CID 123766438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).