7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline

C78H48N6 — CID 165020790

IUPAC7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline
SMILESc1ccc2ncc(-c3ccc4ccc(-c5ccc6ccc(-c7cc8ccccc8c8ccccc78)cc6n5)cc4n3)cc2c1.c1ccc2ncc(-c3ccc4ccc(-c5ccc6ccc(-c7cccc8ccccc78)cc6n5)cc4n3)cc2c1
InChIInChI=1S/C41H25N3.C37H23N3/c1-3-9-33-28(7-1)22-36(35-11-5-4-10-34(33)35)29-15-13-26-17-19-38(43-40(26)23-29)31-16-14-27-18-20-39(44-41(27)24-31)32-21-30-8-2-6-12-37(30)42-25-32;1-3-9-31-24(6-1)8-5-10-32(31)27-14-12-25-16-18-34(39-36(25)21-27)29-15-13-26-17-19-35(40-37(26)22-29)30-20-28-7-2-4-11-33(28)38-23-30/h1-25H;1-23H
InChIKeyLCXWLTHMTSBADR-UHFFFAOYSA-N
MW1069.28 g/mol
LogP20.12
Rot. Bonds6

About 7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline

7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline (PubChem CID 165020790) has the molecular formula C78H48N6 and a molecular weight of 1069.28 g/mol. Its IUPAC name is 7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline.

Molecular Properties

Compound Name7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline
PubChem CID165020790
Molecular FormulaC78H48N6
Molecular Weight1069.28 g/mol
Exact Mass1068.39
IUPAC Name7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline
SMILESc1ccc2ncc(-c3ccc4ccc(-c5ccc6ccc(-c7cc8ccccc8c8ccccc78)cc6n5)cc4n3)cc2c1.c1ccc2ncc(-c3ccc4ccc(-c5ccc6ccc(-c7cccc8ccccc78)cc6n5)cc4n3)cc2c1
InChIInChI=1S/C41H25N3.C37H23N3/c1-3-9-33-28(7-1)22-36(35-11-5-4-10-34(33)35)29-15-13-26-17-19-38(43-40(26)23-29)31-16-14-27-18-20-39(44-41(27)24-31)32-21-30-8-2-6-12-37(30)42-25-32;1-3-9-31-24(6-1)8-5-10-32(31)27-14-12-25-16-18-34(39-36(25)21-27)29-15-13-26-17-19-35(40-37(26)22-29)30-20-28-7-2-4-11-33(28)38-23-30/h1-25H;1-23H
InChIKeyLCXWLTHMTSBADR-UHFFFAOYSA-N
XLogP20.12
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.28
LogP ≤ 520.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline
CID 134167568
3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 165062621
2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 165080275
2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline
CID 155023055
7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline
CID 164992438
2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
CID 165037983
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558
3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 158905185
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165094254
5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine
CID 59747209
2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline
CID 139364036
2-naphthalen-1-yl-6-(2-pyridin-4-ylquinolin-7-yl)quinoline
CID 155023288

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline?
The IUPAC name of 7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline (CID 165020790) is 7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline.
What is the SMILES notation for 7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline?
The canonical SMILES for 7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline is c1ccc2ncc(-c3ccc4ccc(-c5ccc6ccc(-c7cc8ccccc8c8ccccc78)cc6n5)cc4n3)cc2c1.c1ccc2ncc(-c3ccc4ccc(-c5ccc6ccc(-c7cccc8ccccc78)cc6n5)cc4n3)cc2c1.
What is the InChIKey of 7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline?
The InChIKey is LCXWLTHMTSBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3.C37H23N3/c1-3-9-33-28(7-1)22-36(35-11-5-4-10-34(33)35)29-15-13-26-17-19-38(43-40(26)23-29)31-16-14-27-18-20-39(44-41(27)24-31)32-21-30-8-2-6-12-37(30)42-25-32;1-3-9-31-24(6-1)8-5-10-32(31)27-14-12-25-16-18-34(39-36(25)21-27)29-15-13-26-17-19-35(40-37(26)22-29)30-20-28-7-2-4-11-33(28)38-23-30/h1-25H;1-23H.
What are the key properties of 7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline?
7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline has a molecular weight of 1069.28 g/mol, XLogP of 20.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline is sourced from PubChem (CID 165020790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).