6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline

C36H22N2 — CID 144554033

IUPAC6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline
SMILESc1ccc(-c2ccc(-c3ccc4ccc5ccc(-c6ccc7ncccc7c6)c6ccc3c4c56)cc2)nc1
InChIInChI=1S/C36H22N2/c1-2-20-37-33(5-1)24-8-6-23(7-9-24)29-15-12-25-10-11-26-13-16-30(32-18-17-31(29)35(25)36(26)32)27-14-19-34-28(22-27)4-3-21-38-34/h1-22H
InChIKeyLHRRMDSBMVLIAX-UHFFFAOYSA-N
MW482.59 g/mol
LogP9.53
Rot. Bonds3

About 6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline

6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline (PubChem CID 144554033) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline.

Molecular Properties

Compound Name6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline
PubChem CID144554033
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Name6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline
SMILESc1ccc(-c2ccc(-c3ccc4ccc5ccc(-c6ccc7ncccc7c6)c6ccc3c4c56)cc2)nc1
InChIInChI=1S/C36H22N2/c1-2-20-37-33(5-1)24-8-6-23(7-9-24)29-15-12-25-10-11-26-13-16-30(32-18-17-31(29)35(25)36(26)32)27-14-19-34-28(22-27)4-3-21-38-34/h1-22H
InChIKeyLHRRMDSBMVLIAX-UHFFFAOYSA-N
XLogP9.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-2-pyridinyl]quinoline
CID 122416232
2-[6-[4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-3,8-diphenylpyren-1-yl]-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3,8-diphenyl-6-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;6-[4-[3,8-diphenyl-6-(4-phenyl-6-quinolin-6-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-3,8-diphenylpyren-1-yl]-6-phenyl-1,3,5-triazine
CID 157197011
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
4-[3-(4-pyren-1-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685234
6-[4-naphthalen-2-yl-6-[6-(4-naphthalen-2-yl-6-quinolin-6-yl-1,3,5-triazin-2-yl)pyren-1-yl]-1,3,5-triazin-2-yl]quinoline;6-[4-naphthalen-2-yl-6-[6-(4-naphthalen-2-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)pyren-1-yl]-1,3,5-triazin-2-yl]quinoxaline;6-[4-quinolin-6-yl-6-[6-(4-quinolin-6-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)pyren-1-yl]-1,3,5-triazin-2-yl]quinoxaline
CID 161318448
2-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-1-yl]phenyl]pyridine
CID 167412782
3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine
CID 144553841
ethane;bis(prop-1-ene);6-[6-(3-quinolin-6-ylphenyl)pyren-1-yl]quinoline;3-[3-(6-quinolin-6-ylpyren-1-yl)phenyl]quinoline
CID 144604853
4-[4-[2-(2-pyren-1-ylphenyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 166684989
4-[4-[6-(2-pyren-1-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 129208858

Frequently Asked Questions

What is the IUPAC name of 6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline?
The IUPAC name of 6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline (CID 144554033) is 6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline.
What is the SMILES notation for 6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline?
The canonical SMILES for 6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline is c1ccc(-c2ccc(-c3ccc4ccc5ccc(-c6ccc7ncccc7c6)c6ccc3c4c56)cc2)nc1.
What is the InChIKey of 6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline?
The InChIKey is LHRRMDSBMVLIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2/c1-2-20-37-33(5-1)24-8-6-23(7-9-24)29-15-12-25-10-11-26-13-16-30(32-18-17-31(29)35(25)36(26)32)27-14-19-34-28(22-27)4-3-21-38-34/h1-22H.
What are the key properties of 6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline?
6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline has a molecular weight of 482.59 g/mol, XLogP of 9.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline is sourced from PubChem (CID 144554033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).