32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene

C46H43N — CID 51040792

IUPAC32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene
SMILESCCCCCCn1c2ccc3cc2c2cc(ccc21)c1cc(C)cc(c1)c1cc(C)cc(c1)c1cc(C)cc(c1)c1cc(C)cc3c1
InChIInChI=1S/C46H43N/c1-6-7-8-9-14-47-45-12-10-33-27-43(45)44-28-34(11-13-46(44)47)36-16-30(3)18-38(24-36)40-20-32(5)22-42(26-40)41-21-31(4)19-39(25-41)37-17-29(2)15-35(33)23-37/h10-13,15-28H,6-9,14H2,1-5H3
InChIKeyXSSWUCCMLXJGOD-UHFFFAOYSA-N
MW609.86 g/mol
LogP13.50
Rot. Bonds5

About 32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene

32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene (PubChem CID 51040792) has the molecular formula C46H43N and a molecular weight of 609.86 g/mol. Its IUPAC name is 32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene.

Molecular Properties

Compound Name32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene
PubChem CID51040792
Molecular FormulaC46H43N
Molecular Weight609.86 g/mol
Exact Mass609.34
IUPAC Name32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene
SMILESCCCCCCn1c2ccc3cc2c2cc(ccc21)c1cc(C)cc(c1)c1cc(C)cc(c1)c1cc(C)cc(c1)c1cc(C)cc3c1
InChIInChI=1S/C46H43N/c1-6-7-8-9-14-47-45-12-10-33-27-43(45)44-28-34(11-13-46(44)47)36-16-30(3)18-38(24-36)40-20-32(5)22-42(26-40)41-21-31(4)19-39(25-41)37-17-29(2)15-35(33)23-37/h10-13,15-28H,6-9,14H2,1-5H3
InChIKeyXSSWUCCMLXJGOD-UHFFFAOYSA-N
XLogP13.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.86
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene 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

2-methylnaphthalene;3-methyl-9-octylcarbazole
CID 167681483
22-hexyl-22-azahexacyclo[12.11.0.03,12.05,10.015,23.016,21]pentacosa-1,3,5,7,9,11,13,15(23),16,18,20,24-dodecaene
CID 135031023
6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783629
3,6-ditert-butyl-9-hexylcarbazole
CID 146671988
3,6-ditert-butyl-9-heptylcarbazole
CID 146635987
5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole
CID 67991343
9-hexyl-3-N,6-N-dinaphthalen-2-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 142740904
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
9-dodecylcarbazole-3,6-dicarbaldehyde
CID 22559825
16-butyl-7,25-dimethoxy-16-azaheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20(29),21,23,25,27-tetradecaene
CID 122385437
benzene;9-octylcarbazole
CID 175067369

Frequently Asked Questions

What is the IUPAC name of 32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene?
The IUPAC name of 32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene (CID 51040792) is 32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene.
What is the SMILES notation for 32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene?
The canonical SMILES for 32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene is CCCCCCn1c2ccc3cc2c2cc(ccc21)c1cc(C)cc(c1)c1cc(C)cc(c1)c1cc(C)cc(c1)c1cc(C)cc3c1.
What is the InChIKey of 32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene?
The InChIKey is XSSWUCCMLXJGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43N/c1-6-7-8-9-14-47-45-12-10-33-27-43(45)44-28-34(11-13-46(44)47)36-16-30(3)18-38(24-36)40-20-32(5)22-42(26-40)41-21-31(4)19-39(25-41)37-17-29(2)15-35(33)23-37/h10-13,15-28H,6-9,14H2,1-5H3.
What are the key properties of 32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene?
32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene has a molecular weight of 609.86 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene is sourced from PubChem (CID 51040792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).