heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene

C28H24 — CID 140797975

IUPACheptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene
SMILESC1=CC2C(C=C1)C1c3ccccc3C2C2c3ccccc3C1C1C=CC=CC12
InChIInChI=1S/C28H24/c1-2-10-18-17(9-1)25-19-11-3-4-12-20(19)26(18)28-23-15-7-5-13-21(23)27(25)22-14-6-8-16-24(22)28/h1-18,21,23,25-28H
InChIKeyYGIBVTFGRZQOCE-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.48
Rot. Bonds

About heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene

heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene (PubChem CID 140797975) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene.

Molecular Properties

Compound Nameheptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene
PubChem CID140797975
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Nameheptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene
SMILESC1=CC2C(C=C1)C1c3ccccc3C2C2c3ccccc3C1C1C=CC=CC12
InChIInChI=1S/C28H24/c1-2-10-18-17(9-1)25-19-11-3-4-12-20(19)26(18)28-23-15-7-5-13-21(23)27(25)22-14-6-8-16-24(22)28/h1-18,21,23,25-28H
InChIKeyYGIBVTFGRZQOCE-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene with MolForge

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Related Compounds

heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
(1R,8R,9S,14S,15R,19R)-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,10,12-pentaene-16,18-dione
CID 98123261
(3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene
CID 98158883
(1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene
CID 95564771
(1S,2R,9S,10R)-tetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraene
CID 11095035
(1S,2S,3S,10S)-hexacyclo[8.8.0.02,18.03,11.04,9.012,17]octadeca-4,6,8,12,14,16-hexaene
CID 98514313
piperidin-1-yl-[(1S,8S,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone
CID 11911329
piperidin-1-yl-[(1S,8R,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone
CID 18556094
[(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol
CID 126589539
tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one
CID 101227628
(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene
CID 98514230
9,9a-dihydro-4aH-fluoren-9-yl(phenyl)phosphane
CID 59017080

Frequently Asked Questions

What is the IUPAC name of heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene?
The IUPAC name of heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene (CID 140797975) is heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene.
What is the SMILES notation for heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene?
The canonical SMILES for heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene is C1=CC2C(C=C1)C1c3ccccc3C2C2c3ccccc3C1C1C=CC=CC12.
What is the InChIKey of heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene?
The InChIKey is YGIBVTFGRZQOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24/c1-2-10-18-17(9-1)25-19-11-3-4-12-20(19)26(18)28-23-15-7-5-13-21(23)27(25)22-14-6-8-16-24(22)28/h1-18,21,23,25-28H.
What are the key properties of heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene?
heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene has a molecular weight of 360.50 g/mol, XLogP of 6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene is sourced from PubChem (CID 140797975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).