hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene

C23H14 — CID 21087833

IUPAChexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
SMILESc1ccc2cc3c4c5c(ccc6cccc(c65)C4)cc3cc2c1
InChIInChI=1S/C23H14/c1-2-5-16-12-20-19(10-15(16)4-1)11-18-9-8-14-6-3-7-17-13-21(20)23(18)22(14)17/h1-12H,13H2
InChIKeyIQPKPEWBSYDGKY-UHFFFAOYSA-N
MW290.37 g/mol
LogP6.20
Rot. Bonds

About hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene

hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene (PubChem CID 21087833) has the molecular formula C23H14 and a molecular weight of 290.37 g/mol. Its IUPAC name is hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene.

Molecular Properties

Compound Namehexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
PubChem CID21087833
Molecular FormulaC23H14
Molecular Weight290.37 g/mol
Exact Mass290.11
IUPAC Namehexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
SMILESc1ccc2cc3c4c5c(ccc6cccc(c65)C4)cc3cc2c1
InChIInChI=1S/C23H14/c1-2-5-16-12-20-19(10-15(16)4-1)11-18-9-8-14-6-3-7-17-13-21(20)23(18)22(14)17/h1-12H,13H2
InChIKeyIQPKPEWBSYDGKY-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.37
LogP ≤ 56.20
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 hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

anthracene;fluoranthene;9H-fluorene
CID 162240077
pentaphene;perylene
CID 159419403
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
1,2-bis(9H-fluoren-1-yl)anthracene
CID 174494637
6,13-dibromo-5,14-dihydropentacene
CID 102219532
anthracene;1,2-dihydroacenaphthylene;perylene
CID 161092336
decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;decacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2,4,6,8(36),9,11,13,15,17,19(35),20,22,24,26,28,30(34),31-octadecaene;heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene
CID 159238054
undecacyclo[25.12.4.12,6.15,8.17,11.112,16.117,21.122,26.030,42.031,36.037,41]nonatetraconta-1(40),2(49),3,5,7,9,11(47),12,14,16(46),17,19,21(45),22(44),23,25,27(43),28,30(42),31,33,35,37(41),38-tetracosaene
CID 159424706
anthracene;naphthalene;pyrene;octacosahydrate
CID 163686062
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene
CID 172997689
dodecacyclo[29.12.4.42,15.116,20.121,25.126,30.06,11.034,46.035,40.041,45.05,53.012,52]tetrapentaconta-1(44),2(54),3,5(53),6,8,10,12(52),13,15(51),16,18,20(50),21(49),22,24,26(48),27,29,31(47),32,34(46),35,37,39,41(45),42-heptacosaene
CID 140743025
2-(9H-fluoren-1-yl)anthracene
CID 151119003

Frequently Asked Questions

What is the IUPAC name of hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene?
The IUPAC name of hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene (CID 21087833) is hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene.
What is the SMILES notation for hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene?
The canonical SMILES for hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene is c1ccc2cc3c4c5c(ccc6cccc(c65)C4)cc3cc2c1.
What is the InChIKey of hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene?
The InChIKey is IQPKPEWBSYDGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14/c1-2-5-16-12-20-19(10-15(16)4-1)11-18-9-8-14-6-3-7-17-13-21(20)23(18)22(14)17/h1-12H,13H2.
What are the key properties of hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene?
hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene has a molecular weight of 290.37 g/mol, XLogP of 6.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene is sourced from PubChem (CID 21087833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).