3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene

C46H28 — CID 59399024

IUPAC3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc2cc(C3=C4C(=C(c5ccc6ccccc6c5)C5c6cccc7cccc(c67)C35)c3cccc5cccc4c35)ccc2c1
InChIInChI=1S/C46H28/c1-3-11-31-25-33(23-21-27(31)9-1)41-43-35-17-5-13-29-15-7-19-37(39(29)35)45(43)42(34-24-22-28-10-2-4-12-32(28)26-34)46-38-20-8-16-30-14-6-18-36(40(30)38)44(41)46/h1-26,43,45H
InChIKeyBCKMYTUOVVBXKV-UHFFFAOYSA-N
MW580.73 g/mol
LogP12.03
Rot. Bonds2

About 3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene

3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene (PubChem CID 59399024) has the molecular formula C46H28 and a molecular weight of 580.73 g/mol. Its IUPAC name is 3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene
PubChem CID59399024
Molecular FormulaC46H28
Molecular Weight580.73 g/mol
Exact Mass580.22
IUPAC Name3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc2cc(C3=C4C(=C(c5ccc6ccccc6c5)C5c6cccc7cccc(c67)C35)c3cccc5cccc4c35)ccc2c1
InChIInChI=1S/C46H28/c1-3-11-31-25-33(23-21-27(31)9-1)41-43-35-17-5-13-29-15-7-19-37(39(29)35)45(43)42(34-24-22-28-10-2-4-12-32(28)26-34)46-38-20-8-16-30-14-6-18-36(40(30)38)44(41)46/h1-26,43,45H
InChIKeyBCKMYTUOVVBXKV-UHFFFAOYSA-N
XLogP12.03
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 ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

1,8-bis(6-phenylnaphthalen-2-yl)naphthalene
CID 123306043
9-(9H-fluoren-9-yl)-10-naphthalen-2-ylanthracene
CID 102199153
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene
CID 143739682
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
12-[6-(6b,12a-dihydrobenzo[k]fluoranthen-7-yl)naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171044684
2-(8-pyren-2-ylnaphthalen-1-yl)pyrene
CID 13126696
1,2-bis(4-fluorophenyl)acenaphthylene
CID 23635200
benzo[f]azulene
CID 13065869
9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene
CID 58194402
16-anthracen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 173099138
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043

Frequently Asked Questions

What is the IUPAC name of 3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene?
The IUPAC name of 3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene (CID 59399024) is 3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene is c1ccc2cc(C3=C4C(=C(c5ccc6ccccc6c5)C5c6cccc7cccc(c67)C35)c3cccc5cccc4c35)ccc2c1.
What is the InChIKey of 3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene?
The InChIKey is BCKMYTUOVVBXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28/c1-3-11-31-25-33(23-21-27(31)9-1)41-43-35-17-5-13-29-15-7-19-37(39(29)35)45(43)42(34-24-22-28-10-2-4-12-32(28)26-34)46-38-20-8-16-30-14-6-18-36(40(30)38)44(41)46/h1-26,43,45H.
What are the key properties of 3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene?
3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 580.73 g/mol, XLogP of 12.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 59399024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).