2-naphthalen-2-yl-6,9,10-triphenylanthracene

C42H28 — CID 59342692

IUPAC2-naphthalen-2-yl-6,9,10-triphenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc6ccccc6c5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C42H28/c1-4-12-29(13-5-1)35-22-24-37-39(27-35)41(31-15-6-2-7-16-31)38-25-23-36(28-40(38)42(37)32-17-8-3-9-18-32)34-21-20-30-14-10-11-19-33(30)26-34/h1-28H
InChIKeyBYYGAKGYNFTGON-UHFFFAOYSA-N
MW532.69 g/mol
LogP11.81
Rot. Bonds4

About 2-naphthalen-2-yl-6,9,10-triphenylanthracene

2-naphthalen-2-yl-6,9,10-triphenylanthracene (PubChem CID 59342692) has the molecular formula C42H28 and a molecular weight of 532.69 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6,9,10-triphenylanthracene.

Molecular Properties

Compound Name2-naphthalen-2-yl-6,9,10-triphenylanthracene
PubChem CID59342692
Molecular FormulaC42H28
Molecular Weight532.69 g/mol
Exact Mass532.22
IUPAC Name2-naphthalen-2-yl-6,9,10-triphenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc6ccccc6c5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C42H28/c1-4-12-29(13-5-1)35-22-24-37-39(27-35)41(31-15-6-2-7-16-31)38-25-23-36(28-40(38)42(37)32-17-8-3-9-18-32)34-21-20-30-14-10-11-19-33(30)26-34/h1-28H
InChIKeyBYYGAKGYNFTGON-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 511.81
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

9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene
CID 140792268
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6,9,10-triphenylanthracene?
The IUPAC name of 2-naphthalen-2-yl-6,9,10-triphenylanthracene (CID 59342692) is 2-naphthalen-2-yl-6,9,10-triphenylanthracene.
What is the SMILES notation for 2-naphthalen-2-yl-6,9,10-triphenylanthracene?
The canonical SMILES for 2-naphthalen-2-yl-6,9,10-triphenylanthracene is c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc6ccccc6c5)ccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-6,9,10-triphenylanthracene?
The InChIKey is BYYGAKGYNFTGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28/c1-4-12-29(13-5-1)35-22-24-37-39(27-35)41(31-15-6-2-7-16-31)38-25-23-36(28-40(38)42(37)32-17-8-3-9-18-32)34-21-20-30-14-10-11-19-33(30)26-34/h1-28H.
What are the key properties of 2-naphthalen-2-yl-6,9,10-triphenylanthracene?
2-naphthalen-2-yl-6,9,10-triphenylanthracene has a molecular weight of 532.69 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6,9,10-triphenylanthracene is sourced from PubChem (CID 59342692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).