11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene]

About 11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene]

11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene] (PubChem CID 166511277) has the molecular formula C43H46 and a molecular weight of 562.84 g/mol. Its IUPAC name is 11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene].

Molecular Properties

Compound Name	11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene]
PubChem CID	166511277
Molecular Formula	C43H46
Molecular Weight	562.84 g/mol
Exact Mass	562.36
IUPAC Name	11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene]
SMILES	Cc1c(C)c(C)c2c(c1C)C1C3CC(C4c5cc6c(cc5C34)-c3cc4c(cc3C63CCCC3)C3C5CC(C(C)C5C)C43)C21
InChI	InChI=1S/C43H46/c1-17-18(2)22(6)36-35(21(17)5)41-31-14-32(42(36)41)40-30-16-34-26(13-28(30)39(31)40)25-12-27-29(15-33(25)43(34)9-7-8-10-43)38-24-11-23(37(27)38)19(3)20(24)4/h12-13,15-16,19-20,23-24,31-32,37-42H,7-11,14H2,1-6H3
InChIKey	OOMRXSHFXILRDD-UHFFFAOYSA-N
XLogP	10.57
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.84
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'cycloheptane_2', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene]?

The IUPAC name of 11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene] (CID 166511277) is 11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene].

What is the SMILES notation for 11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene]?

The canonical SMILES for 11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene] is Cc1c(C)c(C)c2c(c1C)C1C3CC(C4c5cc6c(cc5C34)-c3cc4c(cc3C63CCCC3)C3C5CC(C(C)C5C)C43)C21.

What is the InChIKey of 11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene]?

The InChIKey is OOMRXSHFXILRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46/c1-17-18(2)22(6)36-35(21(17)5)41-31-14-32(42(36)41)40-30-16-34-26(13-28(30)39(31)40)25-12-27-29(15-33(25)43(34)9-7-8-10-43)38-24-11-23(37(27)38)19(3)20(24)4/h12-13,15-16,19-20,23-24,31-32,37-42H,7-11,14H2,1-6H3.

What are the key properties of 11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene]?

11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene] has a molecular weight of 562.84 g/mol, XLogP of 10.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene] is sourced from PubChem (CID 166511277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).