2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene

C50H34 — CID 143986271

IUPAC2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene
SMILESC1=c2ccccc2=C(c2ccc3c(-c4cccc5ccccc45)c4cc(-c5cccc6ccccc56)ccc4c(-c4ccccc4)c3c2)CC1
InChIInChI=1S/C50H34/c1-2-16-36(17-3-1)49-45-29-27-38(43-25-11-19-34-14-5-8-22-40(34)43)32-48(45)50(44-26-12-20-35-15-6-9-23-41(35)44)46-30-28-37(31-47(46)49)42-24-10-18-33-13-4-7-21-39(33)42/h1-9,11-23,25-32H,10,24H2
InChIKeyWPRDBFPUOYFNFM-UHFFFAOYSA-N
MW634.82 g/mol
LogP12.07
Rot. Bonds4

About 2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene

2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene (PubChem CID 143986271) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene.

Molecular Properties

Compound Name2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene
PubChem CID143986271
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene
SMILESC1=c2ccccc2=C(c2ccc3c(-c4cccc5ccccc45)c4cc(-c5cccc6ccccc56)ccc4c(-c4ccccc4)c3c2)CC1
InChIInChI=1S/C50H34/c1-2-16-36(17-3-1)49-45-29-27-38(43-25-11-19-34-14-5-8-22-40(34)43)32-48(45)50(44-26-12-20-35-15-6-9-23-41(35)44)46-30-28-37(31-47(46)49)42-24-10-18-33-13-4-7-21-39(33)42/h1-9,11-23,25-32H,10,24H2
InChIKeyWPRDBFPUOYFNFM-UHFFFAOYSA-N
XLogP12.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 512.07
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

2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene?
The IUPAC name of 2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene (CID 143986271) is 2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene.
What is the SMILES notation for 2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene?
The canonical SMILES for 2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene is C1=c2ccccc2=C(c2ccc3c(-c4cccc5ccccc45)c4cc(-c5cccc6ccccc56)ccc4c(-c4ccccc4)c3c2)CC1.
What is the InChIKey of 2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene?
The InChIKey is WPRDBFPUOYFNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34/c1-2-16-36(17-3-1)49-45-29-27-38(43-25-11-19-34-14-5-8-22-40(34)43)32-48(45)50(44-26-12-20-35-15-6-9-23-41(35)44)46-30-28-37(31-47(46)49)42-24-10-18-33-13-4-7-21-39(33)42/h1-9,11-23,25-32H,10,24H2.
What are the key properties of 2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene?
2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene has a molecular weight of 634.82 g/mol, XLogP of 12.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene is sourced from PubChem (CID 143986271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).