19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene

C39H24 — CID 58489419

IUPAC19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1c(c3ccccc3c3ccccc13)C2
InChIInChI=1S/C39H24/c1-2-12-28-26(10-1)27-11-3-5-15-31(27)36-22-24(20-21-33(28)36)25-18-9-19-35-37(25)23-38-32-16-6-4-13-29(32)30-14-7-8-17-34(30)39(35)38/h1-22H,23H2
InChIKeyRVHGLAIYJHNTHT-UHFFFAOYSA-N
MW492.62 g/mol
LogP10.69
Rot. Bonds1

About 19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene

19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 58489419) has the molecular formula C39H24 and a molecular weight of 492.62 g/mol. Its IUPAC name is 19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
PubChem CID58489419
Molecular FormulaC39H24
Molecular Weight492.62 g/mol
Exact Mass492.19
IUPAC Name19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1c(c3ccccc3c3ccccc13)C2
InChIInChI=1S/C39H24/c1-2-12-28-26(10-1)27-11-3-5-15-31(27)36-22-24(20-21-33(28)36)25-18-9-19-35-37(25)23-38-32-16-6-4-13-29(32)30-14-7-8-17-34(30)39(35)38/h1-22H,23H2
InChIKeyRVHGLAIYJHNTHT-UHFFFAOYSA-N
XLogP10.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene with MolForge

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Related Compounds

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18-(3-triphenylen-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene
CID 58489376
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CID 122487401
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CID 160799240
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CID 58489367
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CID 138618657
2-[3-[8-[4-(1-deuteriocyclohexyl)phenyl]-9H-fluoren-1-yl]phenyl]triphenylene
CID 157304937
3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole
CID 134509745
2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
CID 159018223
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Frequently Asked Questions

What is the IUPAC name of 19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of 19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene (CID 58489419) is 19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for 19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for 19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1c(c3ccccc3c3ccccc13)C2.
What is the InChIKey of 19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is RVHGLAIYJHNTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24/c1-2-12-28-26(10-1)27-11-3-5-15-31(27)36-22-24(20-21-33(28)36)25-18-9-19-35-37(25)23-38-32-16-6-4-13-29(32)30-14-7-8-17-34(30)39(35)38/h1-22H,23H2.
What are the key properties of 19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 492.62 g/mol, XLogP of 10.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 58489419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).