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

C46H28 — CID 22900021

IUPAC15,26-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
SMILESc1ccc2cc3c(-c4cccc5ccccc45)c4cc5c(ccc6ccccc65)cc4c(-c4cccc5ccccc45)c3cc2c1
InChIInChI=1S/C46H28/c1-2-15-33-26-42-41(25-32(33)14-1)45(38-21-9-16-29-11-3-6-18-35(29)38)43-27-34-24-23-31-13-5-8-20-37(31)40(34)28-44(43)46(42)39-22-10-17-30-12-4-7-19-36(30)39/h1-28H
InChIKeyUWWBTPWQRTXZSG-UHFFFAOYSA-N
MW580.73 g/mol
LogP13.09
Rot. Bonds2

About 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

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 (PubChem CID 22900021) has the molecular formula C46H28 and a molecular weight of 580.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15,26-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
PubChem CID22900021
Molecular FormulaC46H28
Molecular Weight580.73 g/mol
Exact Mass580.22
IUPAC Name15,26-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
SMILESc1ccc2cc3c(-c4cccc5ccccc45)c4cc5c(ccc6ccccc65)cc4c(-c4cccc5ccccc45)c3cc2c1
InChIInChI=1S/C46H28/c1-2-15-33-26-42-41(25-32(33)14-1)45(38-21-9-16-29-11-3-6-18-35(29)38)43-27-34-24-23-31-13-5-8-20-37(31)40(34)28-44(43)46(42)39-22-10-17-30-12-4-7-19-36(30)39/h1-28H
InChIKeyUWWBTPWQRTXZSG-UHFFFAOYSA-N
XLogP13.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[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;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;15,26-dinaphthalen-2-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 162189667
1,10-dinaphthalen-1-ylanthracene
CID 58645117
9,10-di(anthracen-1-yl)anthracene
CID 58645093
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
naphtho[1,2-b]phenanthrene
CID 5889
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-1-yl-9-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-2-yl-9-phenanthren-2-yl-2-phenylanthracene
CID 161355195
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
CID 157090523
CID 157090523
benzo[a]anthracene;hydrobromide
CID 159787028

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc3c(-c4cccc5ccccc45)c4cc5c(ccc6ccccc65)cc4c(-c4cccc5ccccc45)c3cc2c1.
What is the InChIKey of 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?
The InChIKey is UWWBTPWQRTXZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28/c1-2-15-33-26-42-41(25-32(33)14-1)45(38-21-9-16-29-11-3-6-18-35(29)38)43-27-34-24-23-31-13-5-8-20-37(31)40(34)28-44(43)46(42)39-22-10-17-30-12-4-7-19-36(30)39/h1-28H.
What are the key properties of 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?
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 has a molecular weight of 580.73 g/mol, XLogP of 13.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22900021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).