3,6-di(perylen-3-yl)-1,8-naphthyridine

C48H26N2 — CID 58771597

IUPAC3,6-di(perylen-3-yl)-1,8-naphthyridine
SMILESc1cc2cccc3c4ccc(-c5cnc6ncc(-c7ccc8c9cccc%10cccc(c%11cccc7c%118)c%109)cc6c5)c5cccc(c(c1)c23)c54
InChIInChI=1S/C48H26N2/c1-7-27-9-3-13-38-42-21-19-32(34-15-5-17-40(46(34)42)36(11-1)44(27)38)30-23-29-24-31(26-50-48(29)49-25-30)33-20-22-43-39-14-4-10-28-8-2-12-37(45(28)39)41-18-6-16-35(33)47(41)43/h1-26H
InChIKeyPIZVNAREPCXXQT-UHFFFAOYSA-N
MW630.75 g/mol
LogP13.06
Rot. Bonds2

About 3,6-di(perylen-3-yl)-1,8-naphthyridine

3,6-di(perylen-3-yl)-1,8-naphthyridine (PubChem CID 58771597) has the molecular formula C48H26N2 and a molecular weight of 630.75 g/mol. Its IUPAC name is 3,6-di(perylen-3-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name3,6-di(perylen-3-yl)-1,8-naphthyridine
PubChem CID58771597
Molecular FormulaC48H26N2
Molecular Weight630.75 g/mol
Exact Mass630.21
IUPAC Name3,6-di(perylen-3-yl)-1,8-naphthyridine
SMILESc1cc2cccc3c4ccc(-c5cnc6ncc(-c7ccc8c9cccc%10cccc(c%11cccc7c%118)c%109)cc6c5)c5cccc(c(c1)c23)c54
InChIInChI=1S/C48H26N2/c1-7-27-9-3-13-38-42-21-19-32(34-15-5-17-40(46(34)42)36(11-1)44(27)38)30-23-29-24-31(26-50-48(29)49-25-30)33-20-22-43-39-14-4-10-28-8-2-12-37(45(28)39)41-18-6-16-35(33)47(41)43/h1-26H
InChIKeyPIZVNAREPCXXQT-UHFFFAOYSA-N
XLogP13.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 91500760
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CID 91033625
3-(6-chrysen-3-ylnaphthalen-2-yl)perylene
CID 140818378
19-(4-pyren-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaene
CID 167412019
osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)
CID 170925486
5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine
CID 102448459
3-(2-phenylphenyl)perylene
CID 174610298
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
3-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-1,5-naphthyridine
CID 59845101
5-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 167411452
3-[10-[6-(10-quinolin-3-ylanthracen-9-yl)pyren-1-yl]anthracen-9-yl]quinoline
CID 59861508
1-pyren-4-ylpyrene
CID 71343129

Frequently Asked Questions

What is the IUPAC name of 3,6-di(perylen-3-yl)-1,8-naphthyridine?
The IUPAC name of 3,6-di(perylen-3-yl)-1,8-naphthyridine (CID 58771597) is 3,6-di(perylen-3-yl)-1,8-naphthyridine.
What is the SMILES notation for 3,6-di(perylen-3-yl)-1,8-naphthyridine?
The canonical SMILES for 3,6-di(perylen-3-yl)-1,8-naphthyridine is c1cc2cccc3c4ccc(-c5cnc6ncc(-c7ccc8c9cccc%10cccc(c%11cccc7c%118)c%109)cc6c5)c5cccc(c(c1)c23)c54.
What is the InChIKey of 3,6-di(perylen-3-yl)-1,8-naphthyridine?
The InChIKey is PIZVNAREPCXXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26N2/c1-7-27-9-3-13-38-42-21-19-32(34-15-5-17-40(46(34)42)36(11-1)44(27)38)30-23-29-24-31(26-50-48(29)49-25-30)33-20-22-43-39-14-4-10-28-8-2-12-37(45(28)39)41-18-6-16-35(33)47(41)43/h1-26H.
What are the key properties of 3,6-di(perylen-3-yl)-1,8-naphthyridine?
3,6-di(perylen-3-yl)-1,8-naphthyridine has a molecular weight of 630.75 g/mol, XLogP of 13.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(perylen-3-yl)-1,8-naphthyridine is sourced from PubChem (CID 58771597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).