heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene

C28H18 — CID 159466514

IUPACheptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1Cc1c3ccccc3cc3cccc-2c13
InChIInChI=1S/C28H18/c1-4-10-21-17(6-1)14-19-8-5-11-24-23-13-12-22-20-9-3-2-7-18(20)15-25(22)26(23)16-27(21)28(19)24/h1-14H,15-16H2
InChIKeyQRBPODYVMUOJKY-UHFFFAOYSA-N
MW354.45 g/mol
LogP7.14
Rot. Bonds

About heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene

heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene (PubChem CID 159466514) has the molecular formula C28H18 and a molecular weight of 354.45 g/mol. Its IUPAC name is heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene.

Molecular Properties

Compound Nameheptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene
PubChem CID159466514
Molecular FormulaC28H18
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Nameheptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1Cc1c3ccccc3cc3cccc-2c13
InChIInChI=1S/C28H18/c1-4-10-21-17(6-1)14-19-8-5-11-24-23-13-12-22-20-9-3-2-7-18(20)15-25(22)26(23)16-27(21)28(19)24/h1-14H,15-16H2
InChIKeyQRBPODYVMUOJKY-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene with MolForge

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Related Compounds

decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
1-naphthalen-1-yl-11H-benzo[a]fluorene
CID 157136460
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203
1,2-bis(9H-fluoren-1-yl)anthracene
CID 174494637
undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
anthracene;fluoranthene;9H-fluorene
CID 162240077
5-naphthalen-1-yl-11H-benzo[a]fluorene
CID 161363694
hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 157080785
2-(9H-fluoren-1-yl)anthracene
CID 151119003
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
2,3-dihydro-1H-benzo[a]phenalene
CID 6427872

Frequently Asked Questions

What is the IUPAC name of heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene?
The IUPAC name of heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene (CID 159466514) is heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene.
What is the SMILES notation for heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene?
The canonical SMILES for heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene is c1ccc2c(c1)Cc1c-2ccc2c1Cc1c3ccccc3cc3cccc-2c13.
What is the InChIKey of heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene?
The InChIKey is QRBPODYVMUOJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18/c1-4-10-21-17(6-1)14-19-8-5-11-24-23-13-12-22-20-9-3-2-7-18(20)15-25(22)26(23)16-27(21)28(19)24/h1-14H,15-16H2.
What are the key properties of heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene?
heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene has a molecular weight of 354.45 g/mol, XLogP of 7.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene is sourced from PubChem (CID 159466514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).