2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline

C55H33N3 — CID 139364165

IUPAC2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline
SMILESc1ccc2cc3nc(-c4cc(-c5ccc6cc7ccccc7cc6n5)cc(-c5c6ccccc6c(-c6ccc7ccccc7n6)c6ccccc56)c4)ccc3cc2c1
InChIInChI=1S/C55H33N3/c1-3-14-37-32-52-39(27-35(37)12-1)22-24-49(57-52)41-29-42(50-25-23-40-28-36-13-2-4-15-38(36)33-53(40)58-50)31-43(30-41)54-44-16-6-8-18-46(44)55(47-19-9-7-17-45(47)54)51-26-21-34-11-5-10-20-48(34)56-51/h1-33H
InChIKeySOCAQVYCUYSWBN-UHFFFAOYSA-N
MW735.89 g/mol
LogP14.61
Rot. Bonds4

About 2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline

2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline (PubChem CID 139364165) has the molecular formula C55H33N3 and a molecular weight of 735.89 g/mol. Its IUPAC name is 2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline.

Molecular Properties

Compound Name2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline
PubChem CID139364165
Molecular FormulaC55H33N3
Molecular Weight735.89 g/mol
Exact Mass735.27
IUPAC Name2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline
SMILESc1ccc2cc3nc(-c4cc(-c5ccc6cc7ccccc7cc6n5)cc(-c5c6ccccc6c(-c6ccc7ccccc7n6)c6ccccc56)c4)ccc3cc2c1
InChIInChI=1S/C55H33N3/c1-3-14-37-32-52-39(27-35(37)12-1)22-24-49(57-52)41-29-42(50-25-23-40-28-36-13-2-4-15-38(36)33-53(40)58-50)31-43(30-41)54-44-16-6-8-18-46(44)55(47-19-9-7-17-45(47)54)51-26-21-34-11-5-10-20-48(34)56-51/h1-33H
InChIKeySOCAQVYCUYSWBN-UHFFFAOYSA-N
XLogP14.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline
CID 139363878
2-phenylbenzo[g]quinoline
CID 45113076
2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline
CID 139364036
7-phenyl-2-[10-(4-quinolin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline
CID 134559323
2-(3-benzo[g]quinolin-2-yl-5-pyridin-4-ylphenyl)benzo[g]quinoline
CID 139364038
2-[10-(10-benzo[g]quinolin-2-ylanthracen-9-yl)anthracen-9-yl]benzo[g]quinoline;2-[6-(10-benzo[g]quinolin-2-ylanthracen-9-yl)quinolin-2-yl]benzo[g]quinoline;2-[4-(4-benzo[g]quinolin-2-ylnaphthalen-1-yl)naphthalen-1-yl]benzo[g]quinoline;2-[3-(4-benzo[g]quinolin-2-ylnaphthalen-1-yl)phenyl]benzo[g]quinoline;2-[6-(4-benzo[g]quinolin-2-ylnaphthalen-1-yl)-2-pyridinyl]benzo[g]quinoline;2,9-bis(benzo[g]quinolin-2-yl)-1,10-phenanthroline;10-phenyl-2-[4-(10-phenylbenzo[g]quinolin-2-yl)naphthalen-1-yl]benzo[g]quinoline;10-phenyl-2-[3-(10-phenylbenzo[g]quinolin-2-yl)phenyl]benzo[g]quinoline;10-phenyl-2-[3-[3-(10-phenylbenzo[g]quinolin-2-yl)phenyl]phenyl]benzo[g]quinoline
CID 159525520
2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline
CID 139363998
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2-[10-(4-anthracen-9-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline
CID 134596726
6-bromo-2-[4-[10-[4-(6-bromoquinolin-2-yl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 153328364
5,10-di(quinolin-2-yl)benzo[g]isoquinoline
CID 59183077
2-[3-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline?
The IUPAC name of 2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline (CID 139364165) is 2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline.
What is the SMILES notation for 2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline?
The canonical SMILES for 2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline is c1ccc2cc3nc(-c4cc(-c5ccc6cc7ccccc7cc6n5)cc(-c5c6ccccc6c(-c6ccc7ccccc7n6)c6ccccc56)c4)ccc3cc2c1.
What is the InChIKey of 2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline?
The InChIKey is SOCAQVYCUYSWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3/c1-3-14-37-32-52-39(27-35(37)12-1)22-24-49(57-52)41-29-42(50-25-23-40-28-36-13-2-4-15-38(36)33-53(40)58-50)31-43(30-41)54-44-16-6-8-18-46(44)55(47-19-9-7-17-45(47)54)51-26-21-34-11-5-10-20-48(34)56-51/h1-33H.
What are the key properties of 2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline?
2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline has a molecular weight of 735.89 g/mol, XLogP of 14.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline is sourced from PubChem (CID 139364165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).