heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene

C27H20 — CID 123589804

IUPACheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene
SMILESC1=CC2Cc3c4c(c5c(c3C2C=C1)Cc1ccccc1-5)Cc1ccccc1-4
InChIInChI=1S/C27H20/c1-4-10-19-16(7-1)13-22-25(19)23-14-17-8-3-6-12-21(17)27(23)24-15-18-9-2-5-11-20(18)26(22)24/h1-12,16,19H,13-15H2
InChIKeyZLITZVPNWYVBCX-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.21
Rot. Bonds

About heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene

heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene (PubChem CID 123589804) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene.

Molecular Properties

Compound Nameheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene
PubChem CID123589804
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Nameheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene
SMILESC1=CC2Cc3c4c(c5c(c3C2C=C1)Cc1ccccc1-5)Cc1ccccc1-4
InChIInChI=1S/C27H20/c1-4-10-19-16(7-1)13-22-25(19)23-14-17-8-3-6-12-21(17)27(23)24-15-18-9-2-5-11-20(18)26(22)24/h1-12,16,19H,13-15H2
InChIKeyZLITZVPNWYVBCX-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene with MolForge

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Related Compounds

(4aS,9aR)-9a,10-dihydro-4aH-anthracen-9-one
CID 7057091
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
4-cyclopenta-2,4-dien-1-yl-1-N,1-N,2-N,2-N,3-N,3-N-hexaethyl-9H-fluorene-1,2,3-triamine
CID 161085872
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
9H-fluorene-1,2,3,4-tetramine
CID 67197336
ethene;9H-fluorene
CID 159544077
4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine
CID 161292169
2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane
CID 151836877
octacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene
CID 86174446
dichloro-cyclopenta-2,4-dien-1-yl-(9H-fluoren-1-yl)germane
CID 139654373

Frequently Asked Questions

What is the IUPAC name of heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene?
The IUPAC name of heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene (CID 123589804) is heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene.
What is the SMILES notation for heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene?
The canonical SMILES for heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene is C1=CC2Cc3c4c(c5c(c3C2C=C1)Cc1ccccc1-5)Cc1ccccc1-4.
What is the InChIKey of heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene?
The InChIKey is ZLITZVPNWYVBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20/c1-4-10-19-16(7-1)13-22-25(19)23-14-17-8-3-6-12-21(17)27(23)24-15-18-9-2-5-11-20(18)26(22)24/h1-12,16,19H,13-15H2.
What are the key properties of heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene?
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene has a molecular weight of 344.46 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene is sourced from PubChem (CID 123589804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).