7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline

C33H21N — CID 121287261

IUPAC7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline
SMILESc1cnc2cc(-c3ccc4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4c3)ccc2c1
InChIInChI=1S/C33H21N/c1-2-6-31-23(4-1)9-14-29-18-27(15-16-32(29)31)25-11-7-22-8-12-26(20-30(22)19-25)28-13-10-24-5-3-17-34-33(24)21-28/h1-21H
InChIKeyKHQUSPUIJGFSHJ-UHFFFAOYSA-N
MW431.54 g/mol
LogP9.03
Rot. Bonds2

About 7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline

7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline (PubChem CID 121287261) has the molecular formula C33H21N and a molecular weight of 431.54 g/mol. Its IUPAC name is 7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline.

Molecular Properties

Compound Name7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline
PubChem CID121287261
Molecular FormulaC33H21N
Molecular Weight431.54 g/mol
Exact Mass431.17
IUPAC Name7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline
SMILESc1cnc2cc(-c3ccc4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4c3)ccc2c1
InChIInChI=1S/C33H21N/c1-2-6-31-23(4-1)9-14-29-18-27(15-16-32(29)31)25-11-7-22-8-12-26(20-30(22)19-25)28-13-10-24-5-3-17-34-33(24)21-28/h1-21H
InChIKeyKHQUSPUIJGFSHJ-UHFFFAOYSA-N
XLogP9.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(10-quinolin-7-ylanthracen-9-yl)quinoline
CID 167164576
2-naphthalen-2-ylphenanthrene
CID 90738367
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline
CID 118372291
7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine
CID 170404497
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298
2-naphthalen-2-yl-7-(2-quinolin-5-ylquinolin-7-yl)quinoline
CID 164780916
7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
CID 122415943
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
CID 118582329
7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline
CID 167339318

Frequently Asked Questions

What is the IUPAC name of 7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline?
The IUPAC name of 7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline (CID 121287261) is 7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline.
What is the SMILES notation for 7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline?
The canonical SMILES for 7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline is c1cnc2cc(-c3ccc4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4c3)ccc2c1.
What is the InChIKey of 7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline?
The InChIKey is KHQUSPUIJGFSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N/c1-2-6-31-23(4-1)9-14-29-18-27(15-16-32(29)31)25-11-7-22-8-12-26(20-30(22)19-25)28-13-10-24-5-3-17-34-33(24)21-28/h1-21H.
What are the key properties of 7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline?
7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline has a molecular weight of 431.54 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline is sourced from PubChem (CID 121287261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).