3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene

C40H26 — CID 90982288

IUPAC3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
SMILESC=Cc1ccc(-c2ccc(-c3ccccc3)c3c2-c2c4cccc(-c5ccccc5)c4cc4cccc-3c24)cc1
InChIInChI=1S/C40H26/c1-2-26-19-21-29(22-20-26)33-24-23-32(28-13-7-4-8-14-28)38-35-18-9-15-30-25-36-31(27-11-5-3-6-12-27)16-10-17-34(36)40(37(30)35)39(33)38/h2-25H,1H2
InChIKeyYTLQNPOONHPPLE-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.28
Rot. Bonds4

About 3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene

3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene (PubChem CID 90982288) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene.

Molecular Properties

Compound Name3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
PubChem CID90982288
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
SMILESC=Cc1ccc(-c2ccc(-c3ccccc3)c3c2-c2c4cccc(-c5ccccc5)c4cc4cccc-3c24)cc1
InChIInChI=1S/C40H26/c1-2-26-19-21-29(22-20-26)33-24-23-32(28-13-7-4-8-14-28)38-35-18-9-15-30-25-36-31(27-11-5-3-6-12-27)16-10-17-34(36)40(37(30)35)39(33)38/h2-25H,1H2
InChIKeyYTLQNPOONHPPLE-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
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 3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene with MolForge

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Related Compounds

5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 91116321
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4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline
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1,2,3-tris(4-ethenylphenyl)benzene
CID 154053101
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
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9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
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3-(4-ethenylphenyl)-4-(3-ethoxyphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 58731431
3-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-7,12-dinaphthalen-1-ylbenzo[k]fluoranthene;9,10,12-triphenyl-7-(2-phenylphenyl)-4-[7-phenyl-10-(2-phenylphenyl)fluoranthen-3-yl]benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[7-phenyl-10-(4-phenylphenyl)fluoranthen-3-yl]benzo[k]fluoranthene
CID 158405519
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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene?
The IUPAC name of 3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene (CID 90982288) is 3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene.
What is the SMILES notation for 3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene?
The canonical SMILES for 3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene is C=Cc1ccc(-c2ccc(-c3ccccc3)c3c2-c2c4cccc(-c5ccccc5)c4cc4cccc-3c24)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene?
The InChIKey is YTLQNPOONHPPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-2-26-19-21-29(22-20-26)33-24-23-32(28-13-7-4-8-14-28)38-35-18-9-15-30-25-36-31(27-11-5-3-6-12-27)16-10-17-34(36)40(37(30)35)39(33)38/h2-25H,1H2.
What are the key properties of 3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene?
3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene has a molecular weight of 506.65 g/mol, XLogP of 11.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene is sourced from PubChem (CID 90982288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).