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

C44H26 — CID 123249303

IUPAC12,24-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
SMILESc1ccc2c(C3=C4C(=C(c5cccc6ccccc56)c5c4ccc4ccccc54)c4ccc5ccccc5c43)cccc2c1
InChIInChI=1S/C44H26/c1-5-17-31-27(11-1)15-9-21-35(31)41-39-33-19-7-3-13-29(33)23-25-37(39)44-42(36-22-10-16-28-12-2-6-18-32(28)36)40-34-20-8-4-14-30(34)24-26-38(40)43(41)44/h1-26H
InChIKeyDNHWUXUWPCHFPH-UHFFFAOYSA-N
MW554.69 g/mol
LogP11.54
Rot. Bonds2

About 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

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 (PubChem CID 123249303) has the molecular formula C44H26 and a molecular weight of 554.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12,24-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
PubChem CID123249303
Molecular FormulaC44H26
Molecular Weight554.69 g/mol
Exact Mass554.20
IUPAC Name12,24-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
SMILESc1ccc2c(C3=C4C(=C(c5cccc6ccccc56)c5c4ccc4ccccc54)c4ccc5ccccc5c43)cccc2c1
InChIInChI=1S/C44H26/c1-5-17-31-27(11-1)15-9-21-35(31)41-39-33-19-7-3-13-29(33)23-25-37(39)44-42(36-22-10-16-28-12-2-6-18-32(28)36)40-34-20-8-4-14-30(34)24-26-38(40)43(41)44/h1-26H
InChIKeyDNHWUXUWPCHFPH-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 12,24-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 with MolForge

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Related Compounds

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
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
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
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-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
12-(10b,10c-dihydropyren-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 123984865
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
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
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(C3=C4C(=C(c5cccc6ccccc56)c5c4ccc4ccccc54)c4ccc5ccccc5c43)cccc2c1.
What is the InChIKey of 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?
The InChIKey is DNHWUXUWPCHFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26/c1-5-17-31-27(11-1)15-9-21-35(31)41-39-33-19-7-3-13-29(33)23-25-37(39)44-42(36-22-10-16-28-12-2-6-18-32(28)36)40-34-20-8-4-14-30(34)24-26-38(40)43(41)44/h1-26H.
What are the key properties of 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?
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 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 12,24-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 is sourced from PubChem (CID 123249303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).