heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene

C27H20 — CID 163448536

IUPACheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene
SMILESC1=Cc2cc3c(cc2C1)Cc1cccc2c1C3c1cc3c(cc1C2)CC=C3
InChIInChI=1S/C27H20/c1-4-16-10-22-12-20-8-3-9-21-13-23-11-17-5-2-7-19(17)15-25(23)27(26(20)21)24(22)14-18(16)6-1/h1-3,6-11,14-15,27H,4-5,12-13H2
InChIKeyFWOIEQMSFLOPFZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.81
Rot. Bonds

About heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene

heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene (PubChem CID 163448536) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene.

Molecular Properties

Compound Nameheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene
PubChem CID163448536
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Nameheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene
SMILESC1=Cc2cc3c(cc2C1)Cc1cccc2c1C3c1cc3c(cc1C2)CC=C3
InChIInChI=1S/C27H20/c1-4-16-10-22-12-20-8-3-9-21-13-23-11-17-5-2-7-19(17)15-25(23)27(26(20)21)24(22)14-18(16)6-1/h1-3,6-11,14-15,27H,4-5,12-13H2
InChIKeyFWOIEQMSFLOPFZ-UHFFFAOYSA-N
XLogP5.81
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 ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene with MolForge

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Related Compounds

2-(1H-inden-5-yl)-9H-fluorene
CID 145186106
14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene
CID 177435064
copper;1H-indene
CID 175216856
1H-indene;methane
CID 157370172
1H-indene;methane
CID 22114429
heptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1(28),2,4,6,8,11,13,15,17,19,21(25),23,26-tridecaene
CID 159780019
6-[2-(3H-inden-5-yl)ethyl]-1H-indene
CID 142633799
tetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),11-hexaene
CID 157493433
6-(6H-phenalen-1-yl)-1H-phenalene
CID 132501427
azulene;1H-indene
CID 160524105
1H-indene;pyrazine
CID 175286554
anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 159221292

Frequently Asked Questions

What is the IUPAC name of heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene?
The IUPAC name of heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene (CID 163448536) is heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene.
What is the SMILES notation for heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene?
The canonical SMILES for heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene is C1=Cc2cc3c(cc2C1)Cc1cccc2c1C3c1cc3c(cc1C2)CC=C3.
What is the InChIKey of heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene?
The InChIKey is FWOIEQMSFLOPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20/c1-4-16-10-22-12-20-8-3-9-21-13-23-11-17-5-2-7-19(17)15-25(23)27(26(20)21)24(22)14-18(16)6-1/h1-3,6-11,14-15,27H,4-5,12-13H2.
What are the key properties of heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene?
heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene has a molecular weight of 344.46 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene is sourced from PubChem (CID 163448536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).