2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene

C46H32 — CID 143886257

IUPAC2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene
SMILESC1=CC(c2ccc3ccccc3c2)=C(c2ccc3cc4cc(-c5ccccc5-c5cccc6ccccc56)ccc4cc3c2)CC1
InChIInChI=1S/C46H32/c1-2-12-33-26-36(23-20-31(33)10-1)42-15-5-6-16-43(42)37-24-21-34-28-40-30-38(25-22-35(40)27-39(34)29-37)44-17-7-8-18-45(44)46-19-9-13-32-11-3-4-14-41(32)46/h1-5,7-15,17-30H,6,16H2
InChIKeyCTOSPWWEULAZPE-UHFFFAOYSA-N
MW584.76 g/mol
LogP12.89
Rot. Bonds4

About 2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene

2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene (PubChem CID 143886257) has the molecular formula C46H32 and a molecular weight of 584.76 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene
PubChem CID143886257
Molecular FormulaC46H32
Molecular Weight584.76 g/mol
Exact Mass584.25
IUPAC Name2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene
SMILESC1=CC(c2ccc3ccccc3c2)=C(c2ccc3cc4cc(-c5ccccc5-c5cccc6ccccc56)ccc4cc3c2)CC1
InChIInChI=1S/C46H32/c1-2-12-33-26-36(23-20-31(33)10-1)42-15-5-6-16-43(42)37-24-21-34-28-40-30-38(25-22-35(40)27-39(34)29-37)44-17-7-8-18-45(44)46-19-9-13-32-11-3-4-14-41(32)46/h1-5,7-15,17-30H,6,16H2
InChIKeyCTOSPWWEULAZPE-UHFFFAOYSA-N
XLogP12.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.76
LogP ≤ 512.89
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

2-naphthalen-1-ylanthracene
CID 2748705
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene
CID 58322843
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
CID 174011841
CID 174011841
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
9-naphthalen-1-yl-2-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 58323226
6-(9-naphthalen-2-ylchrysen-3-yl)-3,4-dihydrodibenzothiophene
CID 123548738
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene (CID 143886257) is 2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene is C1=CC(c2ccc3ccccc3c2)=C(c2ccc3cc4cc(-c5ccccc5-c5cccc6ccccc56)ccc4cc3c2)CC1.
What is the InChIKey of 2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene?
The InChIKey is CTOSPWWEULAZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32/c1-2-12-33-26-36(23-20-31(33)10-1)42-15-5-6-16-43(42)37-24-21-34-28-40-30-38(25-22-35(40)27-39(34)29-37)44-17-7-8-18-45(44)46-19-9-13-32-11-3-4-14-41(32)46/h1-5,7-15,17-30H,6,16H2.
What are the key properties of 2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene?
2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene has a molecular weight of 584.76 g/mol, XLogP of 12.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-6-(2-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 143886257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).