4-(10-naphthalen-1-ylanthracen-9-yl)pyrene

C40H24 — CID 123502506

IUPAC4-(10-naphthalen-1-ylanthracen-9-yl)pyrene
SMILESc1ccc2c(-c3c4ccccc4c(-c4cc5cccc6ccc7cccc4c7c65)c4ccccc34)cccc2c1
InChIInChI=1S/C40H24/c1-2-15-29-25(10-1)11-8-20-30(29)39-31-16-3-5-18-33(31)40(34-19-6-4-17-32(34)39)36-24-28-14-7-12-26-22-23-27-13-9-21-35(36)38(27)37(26)28/h1-24H
InChIKeyKQEAFTOSLKXWTH-UHFFFAOYSA-N
MW504.63 g/mol
LogP11.38
Rot. Bonds2

About 4-(10-naphthalen-1-ylanthracen-9-yl)pyrene

4-(10-naphthalen-1-ylanthracen-9-yl)pyrene (PubChem CID 123502506) has the molecular formula C40H24 and a molecular weight of 504.63 g/mol. Its IUPAC name is 4-(10-naphthalen-1-ylanthracen-9-yl)pyrene.

Molecular Properties

Compound Name4-(10-naphthalen-1-ylanthracen-9-yl)pyrene
PubChem CID123502506
Molecular FormulaC40H24
Molecular Weight504.63 g/mol
Exact Mass504.19
IUPAC Name4-(10-naphthalen-1-ylanthracen-9-yl)pyrene
SMILESc1ccc2c(-c3c4ccccc4c(-c4cc5cccc6ccc7cccc4c7c65)c4ccccc34)cccc2c1
InChIInChI=1S/C40H24/c1-2-15-29-25(10-1)11-8-20-30(29)39-31-16-3-5-18-33(31)40(34-19-6-4-17-32(34)39)36-24-28-14-7-12-26-22-23-27-13-9-21-35(36)38(27)37(26)28/h1-24H
InChIKeyKQEAFTOSLKXWTH-UHFFFAOYSA-N
XLogP11.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

7,12-di(pyren-4-yl)benzo[k]fluoranthene
CID 123852618
4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene
CID 140784013
9,10-dinaphthalen-1-ylanthracene;4-(10-naphthalen-1-ylanthracen-9-yl)pyrene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;4-(10-phenylanthracen-9-yl)pyrene
CID 157157236
1-(2-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)pyrene
CID 58322883
9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene
CID 158348352
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
4-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]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-tetradecaene
CID 167412858
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
13-pyren-1-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 145350843
3,10,17,20-tetra(pyren-4-yl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722753
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513

Frequently Asked Questions

What is the IUPAC name of 4-(10-naphthalen-1-ylanthracen-9-yl)pyrene?
The IUPAC name of 4-(10-naphthalen-1-ylanthracen-9-yl)pyrene (CID 123502506) is 4-(10-naphthalen-1-ylanthracen-9-yl)pyrene.
What is the SMILES notation for 4-(10-naphthalen-1-ylanthracen-9-yl)pyrene?
The canonical SMILES for 4-(10-naphthalen-1-ylanthracen-9-yl)pyrene is c1ccc2c(-c3c4ccccc4c(-c4cc5cccc6ccc7cccc4c7c65)c4ccccc34)cccc2c1.
What is the InChIKey of 4-(10-naphthalen-1-ylanthracen-9-yl)pyrene?
The InChIKey is KQEAFTOSLKXWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24/c1-2-15-29-25(10-1)11-8-20-30(29)39-31-16-3-5-18-33(31)40(34-19-6-4-17-32(34)39)36-24-28-14-7-12-26-22-23-27-13-9-21-35(36)38(27)37(26)28/h1-24H.
What are the key properties of 4-(10-naphthalen-1-ylanthracen-9-yl)pyrene?
4-(10-naphthalen-1-ylanthracen-9-yl)pyrene has a molecular weight of 504.63 g/mol, XLogP of 11.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-naphthalen-1-ylanthracen-9-yl)pyrene is sourced from PubChem (CID 123502506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).