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

C44H26 — CID 123368799

IUPAC12-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
SMILESc1ccc2cc(C3=C4C(=C(c5cccc6ccccc56)c5c4ccc4ccccc54)c4ccc5ccccc5c43)ccc2c1
InChIInChI=1S/C44H26/c1-2-14-31-26-32(21-20-27(31)10-1)39-40-34-17-7-4-12-29(34)22-24-37(40)44-42(36-19-9-15-28-11-3-6-16-33(28)36)41-35-18-8-5-13-30(35)23-25-38(41)43(39)44/h1-26H
InChIKeyACGOHTOTFSYNKQ-UHFFFAOYSA-N
MW554.69 g/mol
LogP11.54
Rot. Bonds2

About 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

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 (PubChem CID 123368799) has the molecular formula C44H26 and a molecular weight of 554.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-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
PubChem CID123368799
Molecular FormulaC44H26
Molecular Weight554.69 g/mol
Exact Mass554.20
IUPAC Name12-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
SMILESc1ccc2cc(C3=C4C(=C(c5cccc6ccccc56)c5c4ccc4ccccc54)c4ccc5ccccc5c43)ccc2c1
InChIInChI=1S/C44H26/c1-2-14-31-26-32(21-20-27(31)10-1)39-40-34-17-7-4-12-29(34)22-24-37(40)44-42(36-19-9-15-28-11-3-6-16-33(28)36)41-35-18-8-5-13-30(35)23-25-38(41)43(39)44/h1-26H
InChIKeyACGOHTOTFSYNKQ-UHFFFAOYSA-N
XLogP11.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-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
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
12-naphthalen-2-yl-24-phenylhexacyclo[11.11.0.02,11.03,8.014,23.015,20]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123338519
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
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
11-(9,9-diethylfluoren-2-yl)-3-naphthalen-1-ylpentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene
CID 123906483
1,2,3,4,6,7-hexakis-phenylcyclopenta[a]indene;1-naphthalen-1-yl-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene;1-naphthalen-2-yl-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
CID 157435557
9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene
CID 143913988
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc(C3=C4C(=C(c5cccc6ccccc56)c5c4ccc4ccccc54)c4ccc5ccccc5c43)ccc2c1.
What is the InChIKey of 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?
The InChIKey is ACGOHTOTFSYNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26/c1-2-14-31-26-32(21-20-27(31)10-1)39-40-34-17-7-4-12-29(34)22-24-37(40)44-42(36-19-9-15-28-11-3-6-16-33(28)36)41-35-18-8-5-13-30(35)23-25-38(41)43(39)44/h1-26H.
What are the key properties of 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?
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 has a molecular weight of 554.69 g/mol, XLogP of 11.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123368799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).