heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene

C25H14 — CID 101025018

IUPACheptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene
SMILESC1=c2cc3ccc4cccc5cc6cc7cccc(c7c2c6c3c45)C1
InChIInChI=1S/C25H14/c1-3-14-7-9-18-11-19-10-8-15-4-2-6-17-13-20-12-16(5-1)21(14)23(18)25(20)24(19)22(15)17/h1-7,9-13H,8H2
InChIKeyVWIDXSKUDBNJFF-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.95
Rot. Bonds

About heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene

heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene (PubChem CID 101025018) has the molecular formula C25H14 and a molecular weight of 314.39 g/mol. Its IUPAC name is heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene.

Molecular Properties

Compound Nameheptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene
PubChem CID101025018
Molecular FormulaC25H14
Molecular Weight314.39 g/mol
Exact Mass314.11
IUPAC Nameheptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene
SMILESC1=c2cc3ccc4cccc5cc6cc7cccc(c7c2c6c3c45)C1
InChIInChI=1S/C25H14/c1-3-14-7-9-18-11-19-10-8-15-4-2-6-17-13-20-12-16(5-1)21(14)23(18)25(20)24(19)22(15)17/h1-7,9-13H,8H2
InChIKeyVWIDXSKUDBNJFF-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene with MolForge

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Related Compounds

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CID 172997689
CID 175026640
CID 175026640
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3H-phenalen-1-ol
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pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
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hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
CID 21087833
anthracene;naphthalene;pyrene;octacosahydrate
CID 163686062
13,14-dimethylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),13,15(19)-nonaene
CID 177091322
decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;decacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene;heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene
CID 159238054
2-(4-pyren-2-ylphenyl)pyrene
CID 140856020
5-chloro-3-fluoro-1H-phenalene
CID 174398927

Frequently Asked Questions

What is the IUPAC name of heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene?
The IUPAC name of heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene (CID 101025018) is heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene.
What is the SMILES notation for heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene?
The canonical SMILES for heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene is C1=c2cc3ccc4cccc5cc6cc7cccc(c7c2c6c3c45)C1.
What is the InChIKey of heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene?
The InChIKey is VWIDXSKUDBNJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14/c1-3-14-7-9-18-11-19-10-8-15-4-2-6-17-13-20-12-16(5-1)21(14)23(18)25(20)24(19)22(15)17/h1-7,9-13H,8H2.
What are the key properties of heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene?
heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene has a molecular weight of 314.39 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene is sourced from PubChem (CID 101025018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).