pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene

C30H34 — CID 102080000

IUPACpentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene
SMILESc1cc2cc(c1)CCCc1cc3cc(c1CCCc1ccc(cc1)CCC3)CCC2
InChIInChI=1S/C30H34/c1-6-23-16-18-24(19-17-23)7-5-15-30-28-13-3-10-25-8-2-9-26(20-25)11-4-14-29(30)22-27(12-1)21-28/h2,8-9,16-22H,1,3-7,10-15H2
InChIKeyGWCFGGKPQAKYSZ-UHFFFAOYSA-N
MW394.60 g/mol
LogP7.01
Rot. Bonds

About pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene

pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene (PubChem CID 102080000) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene.

Molecular Properties

Compound Namepentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene
PubChem CID102080000
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Namepentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene
SMILESc1cc2cc(c1)CCCc1cc3cc(c1CCCc1ccc(cc1)CCC3)CCC2
InChIInChI=1S/C30H34/c1-6-23-16-18-24(19-17-23)7-5-15-30-28-13-3-10-25-8-2-9-26(20-25)11-4-14-29(30)22-27(12-1)21-28/h2,8-9,16-22H,1,3-7,10-15H2
InChIKeyGWCFGGKPQAKYSZ-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tetracyclo[14.13.9.13,28.013,18]nonatriaconta-1,3(39),13(18),14,16,28-hexaene
CID 134982379
tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene
CID 10934287
6,17,23,34-tetramethoxypentacyclo[29.3.1.15,9.114,18.122,26]octatriaconta-1(34),5,7,9(38),14(37),15,17,22,24,26(36),31(35),32-dodecaene
CID 11802005
heptacyclo[18.5.3.02,14.04,12.06,10.016,25.018,23]octacosa-1(25),2,4,6(10),11,13,15,17,19,21,23-undecaene
CID 123791849
(4E)-bicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene
CID 171377918
tetracyclo[9.9.5.13,19.19,13]heptacosa-1(20),2,9,11,13(27),19(26)-hexaene
CID 134981771
tetracyclo[12.12.8.13,25.112,16]hexatriaconta-1(26),2,12,14,16(36),25(35)-hexaene
CID 134982376
4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 126626843
3,12-dithiatricyclo[13.2.2.16,10]icosa-1(18),6(20),7,9,15(19),16-hexaene
CID 100939879
tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde
CID 58554908
heptacyclo[29.3.1.13,7.114,18.120,24.04,34.017,21]octatriaconta-1(34),3,5,7(38),14(37),15,17,20,22,24(36),31(35),32-dodecaene
CID 11060113
3,22-dimethyl-3-azoniapentacyclo[14.6.2.12,6.18,12.020,24]hexacosa-1(23),2,4,6(26),8,10,12(25),16,18,20(24),21-undecaene
CID 147762323

Frequently Asked Questions

What is the IUPAC name of pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene?
The IUPAC name of pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene (CID 102080000) is pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene.
What is the SMILES notation for pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene?
The canonical SMILES for pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene is c1cc2cc(c1)CCCc1cc3cc(c1CCCc1ccc(cc1)CCC3)CCC2.
What is the InChIKey of pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene?
The InChIKey is GWCFGGKPQAKYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34/c1-6-23-16-18-24(19-17-23)7-5-15-30-28-13-3-10-25-8-2-9-26(20-25)11-4-14-29(30)22-27(12-1)21-28/h2,8-9,16-22H,1,3-7,10-15H2.
What are the key properties of pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene?
pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene has a molecular weight of 394.60 g/mol, XLogP of 7.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene is sourced from PubChem (CID 102080000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).