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

C28H18 — CID 159780019

IUPACheptacyclo[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
SMILESC1=Cc2cc3cc4cc5cc6cc7c(cc6cc5cc4cc3cc2C1)CC=C7
InChIInChI=1S/C28H18/c1-3-17-7-21-11-25-15-27-13-23-9-19-5-2-6-20(19)10-24(23)14-28(27)16-26(25)12-22(21)8-18(17)4-1/h1-3,5,7-16H,4,6H2
InChIKeyNHFUCQIYOJAGKW-UHFFFAOYSA-N
MW354.45 g/mol
LogP7.44
Rot. Bonds

About 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

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 (PubChem CID 159780019) has the molecular formula C28H18 and a molecular weight of 354.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameheptacyclo[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
PubChem CID159780019
Molecular FormulaC28H18
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Nameheptacyclo[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
SMILESC1=Cc2cc3cc4cc5cc6cc7c(cc6cc5cc4cc3cc2C1)CC=C7
InChIInChI=1S/C28H18/c1-3-17-7-21-11-25-15-27-13-23-9-19-5-2-6-20(19)10-24(23)14-28(27)16-26(25)12-22(21)8-18(17)4-1/h1-3,5,7-16H,4,6H2
InChIKeyNHFUCQIYOJAGKW-UHFFFAOYSA-N
XLogP7.44
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 ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene
CID 158599405
5-bromo-1H-indene
CID 2747571
decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene
CID 161386072
1,2-dihydrotetracene
CID 526645
6-methyl-3H-inden-5-ol
CID 159911719
5-methyl-1H-indene;propane
CID 91103814
3,5-dihydrocyclopenta[f]benzimidazol-2-amine
CID 118526229
3H-inden-5-ol
CID 21274580
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-tert-butyl-5-methyl-1H-indene
CID 160824528
14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene
CID 177435064

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=Cc2cc3cc4cc5cc6cc7c(cc6cc5cc4cc3cc2C1)CC=C7.
What is the InChIKey of 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?
The InChIKey is NHFUCQIYOJAGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18/c1-3-17-7-21-11-25-15-27-13-23-9-19-5-2-6-20(19)10-24(23)14-28(27)16-26(25)12-22(21)8-18(17)4-1/h1-3,5,7-16H,4,6H2.
What are the key properties of 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?
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 has a molecular weight of 354.45 g/mol, XLogP of 7.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159780019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).