2,3-dinaphthalen-1-yl-1-phenylanthracene

C40H26 — CID 151512335

IUPAC2,3-dinaphthalen-1-yl-1-phenylanthracene
SMILESc1ccc(-c2c(-c3cccc4ccccc34)c(-c3cccc4ccccc34)cc3cc4ccccc4cc23)cc1
InChIInChI=1S/C40H26/c1-2-14-29(15-3-1)39-37-25-31-17-5-4-16-30(31)24-32(37)26-38(35-22-10-18-27-12-6-8-20-33(27)35)40(39)36-23-11-19-28-13-7-9-21-34(28)36/h1-26H
InChIKeyPSSQMDMGHQIVHK-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 2,3-dinaphthalen-1-yl-1-phenylanthracene

2,3-dinaphthalen-1-yl-1-phenylanthracene (PubChem CID 151512335) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2,3-dinaphthalen-1-yl-1-phenylanthracene.

Molecular Properties

Compound Name2,3-dinaphthalen-1-yl-1-phenylanthracene
PubChem CID151512335
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name2,3-dinaphthalen-1-yl-1-phenylanthracene
SMILESc1ccc(-c2c(-c3cccc4ccccc34)c(-c3cccc4ccccc34)cc3cc4ccccc4cc23)cc1
InChIInChI=1S/C40H26/c1-2-14-29(15-3-1)39-37-25-31-17-5-4-16-30(31)24-32(37)26-38(35-22-10-18-27-12-6-8-20-33(27)35)40(39)36-23-11-19-28-13-7-9-21-34(28)36/h1-26H
InChIKeyPSSQMDMGHQIVHK-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
2-naphthalen-1-yl-3-phenylanthracene
CID 123533450
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene
CID 123540206
1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene
CID 141372306
6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine
CID 174888728
9-(2-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 144568898
1-(2,3-diphenylphenyl)anthracene
CID 151584978
2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene
CID 166134124
3,4-dinaphthalen-1-yl-2-phenylaniline
CID 174903856
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708

Frequently Asked Questions

What is the IUPAC name of 2,3-dinaphthalen-1-yl-1-phenylanthracene?
The IUPAC name of 2,3-dinaphthalen-1-yl-1-phenylanthracene (CID 151512335) is 2,3-dinaphthalen-1-yl-1-phenylanthracene.
What is the SMILES notation for 2,3-dinaphthalen-1-yl-1-phenylanthracene?
The canonical SMILES for 2,3-dinaphthalen-1-yl-1-phenylanthracene is c1ccc(-c2c(-c3cccc4ccccc34)c(-c3cccc4ccccc34)cc3cc4ccccc4cc23)cc1.
What is the InChIKey of 2,3-dinaphthalen-1-yl-1-phenylanthracene?
The InChIKey is PSSQMDMGHQIVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-2-14-29(15-3-1)39-37-25-31-17-5-4-16-30(31)24-32(37)26-38(35-22-10-18-27-12-6-8-20-33(27)35)40(39)36-23-11-19-28-13-7-9-21-34(28)36/h1-26H.
What are the key properties of 2,3-dinaphthalen-1-yl-1-phenylanthracene?
2,3-dinaphthalen-1-yl-1-phenylanthracene has a molecular weight of 506.65 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dinaphthalen-1-yl-1-phenylanthracene is sourced from PubChem (CID 151512335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).