7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline

C70H44N6 — CID 164992438

IUPAC7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6cccc7cccnc67)nc5c4)nc3c2)cc1.c1ccc2c(-c3ccc4ccc(-c5ccc6ccc(-c7cccc8cccnc78)nc6c5)nc4c3)cccc2c1
InChIInChI=1S/C37H23N3.C33H21N3/c1-2-10-30-24(6-1)7-3-11-31(30)28-15-13-25-17-19-33(39-35(25)22-28)29-16-14-26-18-20-34(40-36(26)23-29)32-12-4-8-27-9-5-21-38-37(27)32;1-2-6-22(7-3-1)26-13-11-23-15-17-29(35-31(23)20-26)27-14-12-24-16-18-30(36-32(24)21-27)28-10-4-8-25-9-5-19-34-33(25)28/h1-23H;1-21H
InChIKeyHAYNULMLHBOZJA-UHFFFAOYSA-N
MW969.16 g/mol
LogP17.82
Rot. Bonds6

About 7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline

7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline (PubChem CID 164992438) has the molecular formula C70H44N6 and a molecular weight of 969.16 g/mol. Its IUPAC name is 7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline.

Molecular Properties

Compound Name7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline
PubChem CID164992438
Molecular FormulaC70H44N6
Molecular Weight969.16 g/mol
Exact Mass968.36
IUPAC Name7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6cccc7cccnc67)nc5c4)nc3c2)cc1.c1ccc2c(-c3ccc4ccc(-c5ccc6ccc(-c7cccc8cccnc78)nc6c5)nc4c3)cccc2c1
InChIInChI=1S/C37H23N3.C33H21N3/c1-2-10-30-24(6-1)7-3-11-31(30)28-15-13-25-17-19-33(39-35(25)22-28)29-16-14-26-18-20-34(40-36(26)23-29)32-12-4-8-27-9-5-21-38-37(27)32;1-2-6-22(7-3-1)26-13-11-23-15-17-29(35-31(23)20-26)27-14-12-24-16-18-30(36-32(24)21-27)28-10-4-8-25-9-5-19-34-33(25)28/h1-23H;1-21H
InChIKeyHAYNULMLHBOZJA-UHFFFAOYSA-N
XLogP17.82
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.16
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[7-[2-(3,5-diphenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(3-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 164989934
2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023081
4-[4-[7-[7-(3,5-diphenylphenyl)quinolin-2-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164779323
5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780633
2-[4-[7-(2-triphenylen-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780738
4-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 163509386
2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164780822
2-phenyl-9-[4-[2-(2-pyrimidin-2-ylquinolin-7-yl)quinolin-7-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 164779311
2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 165006532
9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 155023382
2-naphthalen-2-yl-9-[4-[2-[2-(1,10-phenanthrolin-5-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 164779383
2-naphthalen-2-yl-7-(2-quinolin-5-ylquinolin-7-yl)quinoline
CID 164780916

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline?
The IUPAC name of 7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline (CID 164992438) is 7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline.
What is the SMILES notation for 7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline?
The canonical SMILES for 7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline is c1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6cccc7cccnc67)nc5c4)nc3c2)cc1.c1ccc2c(-c3ccc4ccc(-c5ccc6ccc(-c7cccc8cccnc78)nc6c5)nc4c3)cccc2c1.
What is the InChIKey of 7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline?
The InChIKey is HAYNULMLHBOZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3.C33H21N3/c1-2-10-30-24(6-1)7-3-11-31(30)28-15-13-25-17-19-33(39-35(25)22-28)29-16-14-26-18-20-34(40-36(26)23-29)32-12-4-8-27-9-5-21-38-37(27)32;1-2-6-22(7-3-1)26-13-11-23-15-17-29(35-31(23)20-26)27-14-12-24-16-18-30(36-32(24)21-27)28-10-4-8-25-9-5-19-34-33(25)28/h1-23H;1-21H.
What are the key properties of 7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline?
7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline has a molecular weight of 969.16 g/mol, XLogP of 17.82, 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-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline is sourced from PubChem (CID 164992438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).