18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene

C30H18 — CID 159461804

IUPAC18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene
SMILESc1ccc(-c2cccc3c2-c2cccc4c2c-3cc2ccc3ccccc3c24)cc1
InChIInChI=1S/C30H18/c1-2-8-19(9-3-1)23-12-6-13-24-27-18-21-17-16-20-10-4-5-11-22(20)28(21)25-14-7-15-26(29(23)24)30(25)27/h1-18H
InChIKeyLURIWCOGAILVRO-UHFFFAOYSA-N
MW378.47 g/mol
LogP8.46
Rot. Bonds1

About 18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene

18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene (PubChem CID 159461804) has the molecular formula C30H18 and a molecular weight of 378.47 g/mol. Its IUPAC name is 18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene
PubChem CID159461804
Molecular FormulaC30H18
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene
SMILESc1ccc(-c2cccc3c2-c2cccc4c2c-3cc2ccc3ccccc3c24)cc1
InChIInChI=1S/C30H18/c1-2-8-19(9-3-1)23-12-6-13-24-27-18-21-17-16-20-10-4-5-11-22(20)28(21)25-14-7-15-26(29(23)24)30(25)27/h1-18H
InChIKeyLURIWCOGAILVRO-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene with MolForge

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Related Compounds

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1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
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12-(2-phenylanthracen-1-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
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CID 167183664
20-(3-naphthalen-2-ylphenyl)-17-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 166019815
5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
CID 140801778
16-[10-(2,6-diphenylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene
CID 171447370

Frequently Asked Questions

What is the IUPAC name of 18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene?
The IUPAC name of 18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene (CID 159461804) is 18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene.
What is the SMILES notation for 18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene?
The canonical SMILES for 18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene is c1ccc(-c2cccc3c2-c2cccc4c2c-3cc2ccc3ccccc3c24)cc1.
What is the InChIKey of 18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene?
The InChIKey is LURIWCOGAILVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18/c1-2-8-19(9-3-1)23-12-6-13-24-27-18-21-17-16-20-10-4-5-11-22(20)28(21)25-14-7-15-26(29(23)24)30(25)27/h1-18H.
What are the key properties of 18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene?
18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene has a molecular weight of 378.47 g/mol, XLogP of 8.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene is sourced from PubChem (CID 159461804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).