heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene

C24H18 — CID 58130571

IUPACheptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene
SMILESC1=CC2=C(C1)Cc1c2c2c(c3c1C1=C(CC=C1)C3)C1=C(CC=C1)C2
InChIInChI=1S/C24H18/c1-4-13-10-19-22(16(13)7-1)20-11-14-5-2-9-18(14)24(20)21-12-15-6-3-8-17(15)23(19)21/h1-3,7-9H,4-6,10-12H2
InChIKeyMALCNVVJZPVASU-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.50
Rot. Bonds

About heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene

heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene (PubChem CID 58130571) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene.

Molecular Properties

Compound Nameheptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene
PubChem CID58130571
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Nameheptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene
SMILESC1=CC2=C(C1)Cc1c2c2c(c3c1C1=C(CC=C1)C3)C1=C(CC=C1)C2
InChIInChI=1S/C24H18/c1-4-13-10-19-22(16(13)7-1)20-11-14-5-2-9-18(14)24(20)21-12-15-6-3-8-17(15)23(19)21/h1-3,7-9H,4-6,10-12H2
InChIKeyMALCNVVJZPVASU-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene with MolForge

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Related Compounds

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CID 22341653
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CID 157493433
tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene
CID 157096961
10,20-bis(2,3,4,5,6-pentafluorophenyl)hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),14,20,22,24,26-dodecaene
CID 122388116
4-cyclopent-3-en-1-ylidenecyclopentene
CID 59987840
1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene
CID 144712629
pentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene
CID 158531072
2,5,6,7,8,9-hexahydrofluoren-1-one
CID 141319272
1,8-dihydro-as-indacene
CID 11030043
(E)-cyclobut-2-en-1-ylidenemethanamine
CID 147295105
1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene;2,3,4-trimethylpenta-1,3-diene
CID 144712628
8,9-dihydro-4H-fluorene-1,5-dione
CID 70167038

Frequently Asked Questions

What is the IUPAC name of heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene?
The IUPAC name of heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene (CID 58130571) is heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene.
What is the SMILES notation for heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene?
The canonical SMILES for heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene is C1=CC2=C(C1)Cc1c2c2c(c3c1C1=C(CC=C1)C3)C1=C(CC=C1)C2.
What is the InChIKey of heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene?
The InChIKey is MALCNVVJZPVASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-4-13-10-19-22(16(13)7-1)20-11-14-5-2-9-18(14)24(20)21-12-15-6-3-8-17(15)23(19)21/h1-3,7-9H,4-6,10-12H2.
What are the key properties of heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene?
heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene has a molecular weight of 306.41 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene is sourced from PubChem (CID 58130571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).