3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde

C51H32O — CID 88533868

IUPAC3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde
SMILESO=Cc1cccc(-c2ccc3cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc3c2)c1
InChIInChI=1S/C51H32O/c52-32-33-8-7-13-36(26-33)39-18-19-41-28-42(21-20-40(41)27-39)43-24-25-48-49(31-43)51(45-23-17-35-10-2-4-12-38(35)30-45)47-15-6-5-14-46(47)50(48)44-22-16-34-9-1-3-11-37(34)29-44/h1-32H
InChIKeyIYGIWOFIHDHHBI-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.93
Rot. Bonds5

About 3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde

3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde (PubChem CID 88533868) has the molecular formula C51H32O and a molecular weight of 660.82 g/mol. Its IUPAC name is 3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde.

Molecular Properties

Compound Name3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde
PubChem CID88533868
Molecular FormulaC51H32O
Molecular Weight660.82 g/mol
Exact Mass660.25
IUPAC Name3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde
SMILESO=Cc1cccc(-c2ccc3cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc3c2)c1
InChIInChI=1S/C51H32O/c52-32-33-8-7-13-36(26-33)39-18-19-41-28-42(21-20-40(41)27-39)43-24-25-48-49(31-43)51(45-23-17-35-10-2-4-12-38(35)30-45)47-15-6-5-14-46(47)50(48)44-22-16-34-9-1-3-11-37(34)29-44/h1-32H
InChIKeyIYGIWOFIHDHHBI-UHFFFAOYSA-N
XLogP13.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene
CID 58954157
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
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949

Frequently Asked Questions

What is the IUPAC name of 3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde?
The IUPAC name of 3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde (CID 88533868) is 3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde.
What is the SMILES notation for 3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde?
The canonical SMILES for 3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde is O=Cc1cccc(-c2ccc3cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc3c2)c1.
What is the InChIKey of 3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde?
The InChIKey is IYGIWOFIHDHHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32O/c52-32-33-8-7-13-36(26-33)39-18-19-41-28-42(21-20-40(41)27-39)43-24-25-48-49(31-43)51(45-23-17-35-10-2-4-12-38(35)30-45)47-15-6-5-14-46(47)50(48)44-22-16-34-9-1-3-11-37(34)29-44/h1-32H.
What are the key properties of 3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde?
3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde has a molecular weight of 660.82 g/mol, XLogP of 13.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde is sourced from PubChem (CID 88533868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).