9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene

C37H35N2+ — CID 170232342

IUPAC9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene
SMILESCc1c2ccccc2c(C2CCCC2)c2c1c1c3c(cc[n+]1C)cc(C1CCCC1)c1c4ccccc4n2c13
InChIInChI=1S/C37H35N2/c1-22-26-15-7-8-16-27(26)32(24-13-5-6-14-24)36-31(22)35-33-25(19-20-38(35)2)21-29(23-11-3-4-12-23)34-28-17-9-10-18-30(28)39(36)37(33)34/h7-10,15-21,23-24H,3-6,11-14H2,1-2H3/q+1
InChIKeyRHCKZSGVMCZLDE-UHFFFAOYSA-N
MW507.70 g/mol
LogP9.59
Rot. Bonds2

About 9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene

9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene (PubChem CID 170232342) has the molecular formula C37H35N2+ and a molecular weight of 507.70 g/mol. Its IUPAC name is 9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene.

Molecular Properties

Compound Name9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene
PubChem CID170232342
Molecular FormulaC37H35N2+
Molecular Weight507.70 g/mol
Exact Mass507.28
IUPAC Name9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene
SMILESCc1c2ccccc2c(C2CCCC2)c2c1c1c3c(cc[n+]1C)cc(C1CCCC1)c1c4ccccc4n2c13
InChIInChI=1S/C37H35N2/c1-22-26-15-7-8-16-27(26)32(24-13-5-6-14-24)36-31(22)35-33-25(19-20-38(35)2)21-29(23-11-3-4-12-23)34-28-17-9-10-18-30(28)39(36)37(33)34/h7-10,15-21,23-24H,3-6,11-14H2,1-2H3/q+1
InChIKeyRHCKZSGVMCZLDE-UHFFFAOYSA-N
XLogP9.59
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.70
LogP ≤ 59.59
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene with MolForge

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Related Compounds

14-cyclohexyl-6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaene
CID 170230741
15,18,23-trimethyl-1-aza-18-azoniaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene
CID 166029721
9-fluoro-24-methoxy-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene
CID 170232444
14,17-dimethyl-9-trimethylgermyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-24-carbonitrile
CID 169015346
9,14,17-trimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene
CID 170231754
3,5,6,9-tetramethyl-14-phenyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaene
CID 170230857
trimethyl-(14,17,22,24-tetramethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaen-9-yl)silane
CID 169015559
14-(1-adamantyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaene
CID 170230884
19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene
CID 166029438
19-cyclopentyl-4,5,10,11,14-pentamethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene
CID 166029404
(9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaen-19-yl)-trimethylgermane
CID 166030200
19-cyclopentyl-3,6,10,11,14-pentamethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene
CID 166030186

Frequently Asked Questions

What is the IUPAC name of 9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene?
The IUPAC name of 9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene (CID 170232342) is 9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene.
What is the SMILES notation for 9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene?
The canonical SMILES for 9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene is Cc1c2ccccc2c(C2CCCC2)c2c1c1c3c(cc[n+]1C)cc(C1CCCC1)c1c4ccccc4n2c13.
What is the InChIKey of 9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene?
The InChIKey is RHCKZSGVMCZLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N2/c1-22-26-15-7-8-16-27(26)32(24-13-5-6-14-24)36-31(22)35-33-25(19-20-38(35)2)21-29(23-11-3-4-12-23)34-28-17-9-10-18-30(28)39(36)37(33)34/h7-10,15-21,23-24H,3-6,11-14H2,1-2H3/q+1.
What are the key properties of 9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene?
9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene has a molecular weight of 507.70 g/mol, XLogP of 9.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,24-dicyclopentyl-14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene is sourced from PubChem (CID 170232342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).