4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline

C29H19N — CID 71174827

IUPAC4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
SMILESc1ccc2c(-c3ccc(-c4ccnc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C29H19N/c1-2-10-21-20(8-1)9-7-14-22(21)25-16-17-26(24-12-4-3-11-23(24)25)27-18-19-30-29-15-6-5-13-28(27)29/h1-19H
InChIKeyNPCMBDJZTMMJIP-UHFFFAOYSA-N
MW381.48 g/mol
LogP7.88
Rot. Bonds2

About 4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline

4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline (PubChem CID 71174827) has the molecular formula C29H19N and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline.

Molecular Properties

Compound Name4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
PubChem CID71174827
Molecular FormulaC29H19N
Molecular Weight381.48 g/mol
Exact Mass381.15
IUPAC Name4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
SMILESc1ccc2c(-c3ccc(-c4ccnc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C29H19N/c1-2-10-21-20(8-1)9-7-14-22(21)25-16-17-26(24-12-4-3-11-23(24)25)27-18-19-30-29-15-6-5-13-28(27)29/h1-19H
InChIKeyNPCMBDJZTMMJIP-UHFFFAOYSA-N
XLogP7.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline?
The IUPAC name of 4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline (CID 71174827) is 4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline.
What is the SMILES notation for 4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline?
The canonical SMILES for 4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline is c1ccc2c(-c3ccc(-c4ccnc5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline?
The InChIKey is NPCMBDJZTMMJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N/c1-2-10-21-20(8-1)9-7-14-22(21)25-16-17-26(24-12-4-3-11-23(24)25)27-18-19-30-29-15-6-5-13-28(27)29/h1-19H.
What are the key properties of 4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline?
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline has a molecular weight of 381.48 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline is sourced from PubChem (CID 71174827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).