octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene

C30H18 — CID 143667795

IUPACoctacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene
SMILESC1=Cc2cccc3c2C(C1)c1ccc2c4cccc5cccc(c6ccc-3c1c62)c54
InChIInChI=1S/C30H18/c1-5-17-6-2-10-20-24-15-16-26-22-12-4-8-18-7-3-11-21(28(18)22)25-14-13-23(29(24)30(25)26)19(9-1)27(17)20/h1-11,13-16,22H,12H2
InChIKeyKKKZEFZWOSTTQF-UHFFFAOYSA-N
MW378.47 g/mol
LogP8.27
Rot. Bonds

About octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene

octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene (PubChem CID 143667795) has the molecular formula C30H18 and a molecular weight of 378.47 g/mol. Its IUPAC name is octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene.

Molecular Properties

Compound Nameoctacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene
PubChem CID143667795
Molecular FormulaC30H18
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Nameoctacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene
SMILESC1=Cc2cccc3c2C(C1)c1ccc2c4cccc5cccc(c6ccc-3c1c62)c54
InChIInChI=1S/C30H18/c1-5-17-6-2-10-20-24-15-16-26-22-12-4-8-18-7-3-11-21(28(18)22)25-14-13-23(29(24)30(25)26)19(9-1)27(17)20/h1-11,13-16,22H,12H2
InChIKeyKKKZEFZWOSTTQF-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 58.27
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 octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene with MolForge

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Related Compounds

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CID 153307348
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
decacyclo[22.9.2.17,11.02,20.04,18.06,16.021,34.025,30.031,35.015,36]hexatriaconta-1(34),2,4,6(16),7,9,11(36),12,14,17,19,21,23,25,27,29,31(35),32-octadecaene
CID 150178057
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione
CID 149053597
1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]-3,3a-dihydroacenaphthylene-1,2-diimine
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7-oxadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,15,17(34),18(27),19(24),20(33),25,28(32),29,35-tetradecaene-6,8,21,23-tetrone
CID 89137751
N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170302011
tridecacyclo[26.12.2.25,8.19,13.129,33.02,24.04,22.06,21.07,18.025,41.038,42.017,44.037,43]hexatetraconta-1(41),2(24),3,5,7,9,11,13(44),14,16,18,20,22,25,27,29,31,33(43),34,36,38(42),39,45-tricosaene
CID 123956616
16-phosphahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaene-15,17-dione
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6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
CID 59845257
3,4-dimethylperylene
CID 20583839
(8-methyl-1-naphthalen-1-yl-7,8-dihydronaphthalen-2-yl)methylphosphane
CID 142046135

Frequently Asked Questions

What is the IUPAC name of octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene?
The IUPAC name of octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene (CID 143667795) is octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene.
What is the SMILES notation for octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene?
The canonical SMILES for octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene is C1=Cc2cccc3c2C(C1)c1ccc2c4cccc5cccc(c6ccc-3c1c62)c54.
What is the InChIKey of octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene?
The InChIKey is KKKZEFZWOSTTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18/c1-5-17-6-2-10-20-24-15-16-26-22-12-4-8-18-7-3-11-21(28(18)22)25-14-13-23(29(24)30(25)26)19(9-1)27(17)20/h1-11,13-16,22H,12H2.
What are the key properties of octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene?
octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene has a molecular weight of 378.47 g/mol, XLogP of 8.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene is sourced from PubChem (CID 143667795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).