5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene

C40H24 — CID 155767823

IUPAC5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
SMILESc1ccc2cc(-c3c4ccccc4c4c5c(cccc35)-c3cc(-c5cccc6ccccc56)ccc3-4)ccc2c1
InChIInChI=1S/C40H24/c1-2-11-27-23-29(20-19-25(27)9-1)38-32-14-5-6-15-33(32)39-35-22-21-28(24-37(35)34-17-8-18-36(38)40(34)39)31-16-7-12-26-10-3-4-13-30(26)31/h1-24H
InChIKeyZBVRWZFMZWWOQO-UHFFFAOYSA-N
MW504.63 g/mol
LogP11.28
Rot. Bonds2

About 5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene

5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene (PubChem CID 155767823) has the molecular formula C40H24 and a molecular weight of 504.63 g/mol. Its IUPAC name is 5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene.

Molecular Properties

Compound Name5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
PubChem CID155767823
Molecular FormulaC40H24
Molecular Weight504.63 g/mol
Exact Mass504.19
IUPAC Name5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
SMILESc1ccc2cc(-c3c4ccccc4c4c5c(cccc35)-c3cc(-c5cccc6ccccc56)ccc3-4)ccc2c1
InChIInChI=1S/C40H24/c1-2-11-27-23-29(20-19-25(27)9-1)38-32-14-5-6-15-33(32)39-35-22-21-28(24-37(35)34-17-8-18-36(38)40(34)39)31-16-7-12-26-10-3-4-13-30(26)31/h1-24H
InChIKeyZBVRWZFMZWWOQO-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene with MolForge

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Related Compounds

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CID 123515173
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3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
7-(3-naphthalen-1-ylphenyl)-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
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CID 58322960
9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
CID 58856517
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?
The IUPAC name of 5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene (CID 155767823) is 5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene.
What is the SMILES notation for 5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?
The canonical SMILES for 5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene is c1ccc2cc(-c3c4ccccc4c4c5c(cccc35)-c3cc(-c5cccc6ccccc56)ccc3-4)ccc2c1.
What is the InChIKey of 5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?
The InChIKey is ZBVRWZFMZWWOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24/c1-2-11-27-23-29(20-19-25(27)9-1)38-32-14-5-6-15-33(32)39-35-22-21-28(24-37(35)34-17-8-18-36(38)40(34)39)31-16-7-12-26-10-3-4-13-30(26)31/h1-24H.
What are the key properties of 5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?
5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene has a molecular weight of 504.63 g/mol, XLogP of 11.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-13-naphthalen-2-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene is sourced from PubChem (CID 155767823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).