9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene

C40H28 — CID 123715814

IUPAC9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene
SMILESC1=C(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)CCc2ccccc21
InChIInChI=1S/C40H28/c1-3-11-31-25-33(23-19-27(31)9-1)29-17-21-30(22-18-29)39-35-13-5-7-15-37(35)40(38-16-8-6-14-36(38)39)34-24-20-28-10-2-4-12-32(28)26-34/h1-18,20-22,24-26H,19,23H2
InChIKeyVCBXMYYRODWQAS-UHFFFAOYSA-N
MW508.66 g/mol
LogP10.97
Rot. Bonds3

About 9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene

9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene (PubChem CID 123715814) has the molecular formula C40H28 and a molecular weight of 508.66 g/mol. Its IUPAC name is 9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene
PubChem CID123715814
Molecular FormulaC40H28
Molecular Weight508.66 g/mol
Exact Mass508.22
IUPAC Name9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene
SMILESC1=C(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)CCc2ccccc21
InChIInChI=1S/C40H28/c1-3-11-31-25-33(23-19-27(31)9-1)29-17-21-30(22-18-29)39-35-13-5-7-15-37(35)40(38-16-8-6-14-36(38)39)34-24-20-28-10-2-4-12-32(28)26-34/h1-18,20-22,24-26H,19,23H2
InChIKeyVCBXMYYRODWQAS-UHFFFAOYSA-N
XLogP10.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene
CID 144809763
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene (CID 123715814) is 9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene is C1=C(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)CCc2ccccc21.
What is the InChIKey of 9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene?
The InChIKey is VCBXMYYRODWQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28/c1-3-11-31-25-33(23-19-27(31)9-1)29-17-21-30(22-18-29)39-35-13-5-7-15-37(35)40(38-16-8-6-14-36(38)39)34-24-20-28-10-2-4-12-32(28)26-34/h1-18,20-22,24-26H,19,23H2.
What are the key properties of 9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene?
9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene has a molecular weight of 508.66 g/mol, XLogP of 10.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 123715814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).