7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene

C66H86 — CID 101489887

IUPAC7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2cc3c(cc21)-c1cc2c(cc1C3)-c1cc3c(cc1C2)-c1ccccc1C3(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C66H86/c1-5-9-13-17-21-29-37-65(38-30-22-18-14-10-6-2)61-35-27-25-33-53(61)59-45-51-41-49-44-56-50(43-55(49)57(51)47-63(59)65)42-52-46-60-54-34-26-28-36-62(54)66(64(60)48-58(52)56,39-31-23-19-15-11-7-3)40-32-24-20-16-12-8-4/h25-28,33-36,43-48H,5-24,29-32,37-42H2,1-4H3
InChIKeyGXMZBGOCBQPQGM-UHFFFAOYSA-N
MW879.41 g/mol
LogP20.36
Rot. Bonds28

About 7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene

7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene (PubChem CID 101489887) has the molecular formula C66H86 and a molecular weight of 879.41 g/mol. Its IUPAC name is 7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene.

Molecular Properties

Compound Name7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
PubChem CID101489887
Molecular FormulaC66H86
Molecular Weight879.41 g/mol
Exact Mass878.67
IUPAC Name7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2cc3c(cc21)-c1cc2c(cc1C3)-c1cc3c(cc1C2)-c1ccccc1C3(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C66H86/c1-5-9-13-17-21-29-37-65(38-30-22-18-14-10-6-2)61-35-27-25-33-53(61)59-45-51-41-49-44-56-50(43-55(49)57(51)47-63(59)65)42-52-46-60-54-34-26-28-36-62(54)66(64(60)48-58(52)56,39-31-23-19-15-11-7-3)40-32-24-20-16-12-8-4/h25-28,33-36,43-48H,5-24,29-32,37-42H2,1-4H3
InChIKeyGXMZBGOCBQPQGM-UHFFFAOYSA-N
XLogP20.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.41
LogP ≤ 520.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene 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

9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2-methyl-9,9-di(tetradecyl)-3H-cyclopenta[b]fluorene
CID 86694795
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-bromo-9,9-dihexylfluorene
CID 18674600
3-bromo-9,9-dioctylfluorene
CID 139567905
1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine
CID 71663652
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
6,6-bis(4-bromophenyl)-12,12-dioctylindeno[1,2-b]fluorene
CID 66603450
9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160836885
2-ethenyl-9,9-dihexylfluorene
CID 86189845
9,9-bis(10-nonylsulfanyldecyl)fluorene
CID 102382728

Frequently Asked Questions

What is the IUPAC name of 7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene?
The IUPAC name of 7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene (CID 101489887) is 7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene.
What is the SMILES notation for 7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene?
The canonical SMILES for 7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2cc3c(cc21)-c1cc2c(cc1C3)-c1cc3c(cc1C2)-c1ccccc1C3(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene?
The InChIKey is GXMZBGOCBQPQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H86/c1-5-9-13-17-21-29-37-65(38-30-22-18-14-10-6-2)61-35-27-25-33-53(61)59-45-51-41-49-44-56-50(43-55(49)57(51)47-63(59)65)42-52-46-60-54-34-26-28-36-62(54)66(64(60)48-58(52)56,39-31-23-19-15-11-7-3)40-32-24-20-16-12-8-4/h25-28,33-36,43-48H,5-24,29-32,37-42H2,1-4H3.
What are the key properties of 7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene?
7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene has a molecular weight of 879.41 g/mol, XLogP of 20.36, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene is sourced from PubChem (CID 101489887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).