12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene

C48H28 — CID 123963259

IUPAC12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
SMILESc1ccc2cc3c(C4=C5C(=C(c6cccc7ccccc67)c6c5ccc5ccccc65)c5ccc6ccccc6c54)cccc3cc2c1
InChIInChI=1S/C48H28/c1-2-15-33-28-42-34(27-32(33)14-1)17-10-22-39(42)46-44-37-20-8-5-13-31(37)24-26-41(44)47-45(38-21-9-16-29-11-3-6-18-35(29)38)43-36-19-7-4-12-30(36)23-25-40(43)48(46)47/h1-28H
InChIKeyYLEWSCXMUVDTFE-UHFFFAOYSA-N
MW604.75 g/mol
LogP12.70
Rot. Bonds2

About 12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene

12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene (PubChem CID 123963259) has the molecular formula C48H28 and a molecular weight of 604.75 g/mol. Its IUPAC name is 12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene.

Molecular Properties

Compound Name12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
PubChem CID123963259
Molecular FormulaC48H28
Molecular Weight604.75 g/mol
Exact Mass604.22
IUPAC Name12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
SMILESc1ccc2cc3c(C4=C5C(=C(c6cccc7ccccc67)c6c5ccc5ccccc65)c5ccc6ccccc6c54)cccc3cc2c1
InChIInChI=1S/C48H28/c1-2-15-33-28-42-34(27-32(33)14-1)17-10-22-39(42)46-44-37-20-8-5-13-31(37)24-26-41(44)47-45(38-21-9-16-29-11-3-6-18-35(29)38)43-36-19-7-4-12-30(36)23-25-40(43)48(46)47/h1-28H
InChIKeyYLEWSCXMUVDTFE-UHFFFAOYSA-N
XLogP12.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 512.70
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'}

Analyze 12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

24-anthracen-1-yl-12-naphthalen-1-ylhexacyclo[11.11.0.02,11.04,9.014,23.017,22]tetracosa-1(24),2,4,6,8,10,12,14(23),15,17,19,21-dodecaene
CID 123909799
12,24-dinaphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123249303
12-naphthalen-1-yl-24-naphthalen-2-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123368799
9,10-di(anthracen-1-yl)anthracene
CID 58645093
3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaenyl)-9H-carbazole
CID 90180403
1-tetracen-5-yltetracene
CID 91610936
15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 22900021
9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 140565979
1,10-dinaphthalen-1-ylanthracene
CID 58645117
(2-naphthalen-1-ylanthracen-1-yl)boronic acid
CID 142695143
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123612784

Frequently Asked Questions

What is the IUPAC name of 12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene?
The IUPAC name of 12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene (CID 123963259) is 12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene.
What is the SMILES notation for 12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene?
The canonical SMILES for 12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene is c1ccc2cc3c(C4=C5C(=C(c6cccc7ccccc67)c6c5ccc5ccccc65)c5ccc6ccccc6c54)cccc3cc2c1.
What is the InChIKey of 12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene?
The InChIKey is YLEWSCXMUVDTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28/c1-2-15-33-28-42-34(27-32(33)14-1)17-10-22-39(42)46-44-37-20-8-5-13-31(37)24-26-41(44)47-45(38-21-9-16-29-11-3-6-18-35(29)38)43-36-19-7-4-12-30(36)23-25-40(43)48(46)47/h1-28H.
What are the key properties of 12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene?
12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene has a molecular weight of 604.75 g/mol, XLogP of 12.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene is sourced from PubChem (CID 123963259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).