17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene

C32H24 — CID 123679349

IUPAC17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
SMILESCC(C)Cc1c2c3c(cccc3c3ccccc13)-c1cc3cc4ccccc4cc3cc1-2
InChIInChI=1S/C32H24/c1-19(2)14-29-25-11-6-5-10-24(25)26-12-7-13-27-28-17-22-15-20-8-3-4-9-21(20)16-23(22)18-30(28)32(29)31(26)27/h3-13,15-19H,14H2,1-2H3
InChIKeyRKQRVRPLJIWWGK-UHFFFAOYSA-N
MW408.54 g/mol
LogP9.15
Rot. Bonds2

About 17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene

17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene (PubChem CID 123679349) has the molecular formula C32H24 and a molecular weight of 408.54 g/mol. Its IUPAC name is 17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene.

Molecular Properties

Compound Name17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
PubChem CID123679349
Molecular FormulaC32H24
Molecular Weight408.54 g/mol
Exact Mass408.19
IUPAC Name17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
SMILESCC(C)Cc1c2c3c(cccc3c3ccccc13)-c1cc3cc4ccccc4cc3cc1-2
InChIInChI=1S/C32H24/c1-19(2)14-29-25-11-6-5-10-24(25)26-12-7-13-27-28-17-22-15-20-8-3-4-9-21(20)16-23(22)18-30(28)32(29)31(26)27/h3-13,15-19H,14H2,1-2H3
InChIKeyRKQRVRPLJIWWGK-UHFFFAOYSA-N
XLogP9.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene with MolForge

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Related Compounds

7-(2-methylpropyl)-4-[7-(2-methylpropyl)benzo[a]anthracen-4-yl]benzo[a]anthracene
CID 123766662
6-tert-butylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene
CID 58454218
benzo[k]fluoranthene;ethane
CID 142369852
undecacyclo[27.11.1.111,15.02,28.04,26.05,23.08,22.010,20.030,35.037,41.019,42]dotetraconta-1(40),2(28),3,5(23),6,8,10(20),11,13,15(42),16,18,21,24,26,29(41),30,32,34,36,38-henicosaene
CID 163913395
anthracene;2-methylpropane
CID 142471530
2-naphthalen-1-yl-3-phenylanthracene
CID 123533450
6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene
CID 58454235
octacyclo[22.12.0.02,7.08,17.010,15.018,23.025,30.031,36]hexatriaconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31,33,35-octadecaene
CID 162413036
chrysene;icosakis(2-methylpropane);perylene;phenanthrene;pyrene;triphenylene
CID 162052721
N,N-diphenylhexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14(23),15,17,19,21-dodecaen-18-amine
CID 89254263
dodecacyclo[31.11.1.111,19.02,32.04,30.05,27.08,26.010,24.013,18.037,45.038,43.023,46]hexatetraconta-1(44),2(32),3,5(27),6,8,10(24),11,13,15,17,19(46),20,22,25,28,30,33,35,37(45),38,40,42-tricosaene
CID 163204370
16,16-dimethylheptacyclo[15.11.1.02,15.04,13.06,11.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,17,19,21,23,25(29),26-tetradecaene;ethane
CID 90827557

Frequently Asked Questions

What is the IUPAC name of 17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene?
The IUPAC name of 17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene (CID 123679349) is 17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene.
What is the SMILES notation for 17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene?
The canonical SMILES for 17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene is CC(C)Cc1c2c3c(cccc3c3ccccc13)-c1cc3cc4ccccc4cc3cc1-2.
What is the InChIKey of 17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene?
The InChIKey is RKQRVRPLJIWWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24/c1-19(2)14-29-25-11-6-5-10-24(25)26-12-7-13-27-28-17-22-15-20-8-3-4-9-21(20)16-23(22)18-30(28)32(29)31(26)27/h3-13,15-19H,14H2,1-2H3.
What are the key properties of 17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene?
17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene has a molecular weight of 408.54 g/mol, XLogP of 9.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(2-methylpropyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene is sourced from PubChem (CID 123679349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).