cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene

C34H33N — CID 145347583

IUPACcyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene
SMILESC1CCCCC1.C=Cc1c(/C=C\C)n(C)c2ccc3c4cccc5ccc6cccc(c3c12)c6c54
InChIInChI=1S/C28H21N.C6H12/c1-4-8-23-19(5-2)28-24(29(23)3)16-15-21-20-11-6-9-17-13-14-18-10-7-12-22(27(21)28)26(18)25(17)20;1-2-4-6-5-3-1/h4-16H,2H2,1,3H3;1-6H2/b8-4-;
InChIKeyXKGUUDILSWCDSK-ZYFYRQFPSA-N
MW455.65 g/mol
LogP10.25
Rot. Bonds2

About cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene

cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene (PubChem CID 145347583) has the molecular formula C34H33N and a molecular weight of 455.65 g/mol. Its IUPAC name is cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene.

Molecular Properties

Compound Namecyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene
PubChem CID145347583
Molecular FormulaC34H33N
Molecular Weight455.65 g/mol
Exact Mass455.26
IUPAC Namecyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene
SMILESC1CCCCC1.C=Cc1c(/C=C\C)n(C)c2ccc3c4cccc5ccc6cccc(c3c12)c6c54
InChIInChI=1S/C28H21N.C6H12/c1-4-8-23-19(5-2)28-24(29(23)3)16-15-21-20-11-6-9-17-13-14-18-10-7-12-22(27(21)28)26(18)25(17)20;1-2-4-6-5-3-1/h4-16H,2H2,1,3H3;1-6H2/b8-4-;
InChIKeyXKGUUDILSWCDSK-ZYFYRQFPSA-N
XLogP10.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-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

3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole
CID 144680666
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-9-methylcarbazole
CID 134240129
1-ethenylperylene
CID 22173667
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole
CID 123383363
penta-1,3-diene;perylene
CID 173142430
ethene;12-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145210762
19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene
CID 178113102
3-cyclohex-2-en-1-yl-2-ethenyl-1-[(Z)-prop-1-enyl]naphtho[2,3-e]indole
CID 145347699
undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537
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

Frequently Asked Questions

What is the IUPAC name of cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene?
The IUPAC name of cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene (CID 145347583) is cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene.
What is the SMILES notation for cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene?
The canonical SMILES for cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene is C1CCCCC1.C=Cc1c(/C=C\C)n(C)c2ccc3c4cccc5ccc6cccc(c3c12)c6c54.
What is the InChIKey of cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene?
The InChIKey is XKGUUDILSWCDSK-ZYFYRQFPSA-N. The full InChI is InChI=1S/C28H21N.C6H12/c1-4-8-23-19(5-2)28-24(29(23)3)16-15-21-20-11-6-9-17-13-14-18-10-7-12-22(27(21)28)26(18)25(17)20;1-2-4-6-5-3-1/h4-16H,2H2,1,3H3;1-6H2/b8-4-;.
What are the key properties of cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene?
cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene has a molecular weight of 455.65 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene is sourced from PubChem (CID 145347583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).