8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene

C30H28 — CID 21023110

IUPAC8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene
SMILESCc1c2c3c(c(C)c(C)c4c5c(C)c(C)c6c7c(c(C)c(C)c(c(c1C)c34)c75)C6)C2
InChIInChI=1S/C30H28/c1-11-15(5)23-24-16(6)13(3)21-10-22-14(4)18(8)26(30(24)28(21)22)25-17(7)12(2)20-9-19(11)27(20)29(23)25/h9-10H2,1-8H3
InChIKeyIKEGZSUBFLWQQO-UHFFFAOYSA-N
MW388.55 g/mol
LogP8.01
Rot. Bonds

About 8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene

8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene (PubChem CID 21023110) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene.

Molecular Properties

Compound Name8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene
PubChem CID21023110
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene
SMILESCc1c2c3c(c(C)c(C)c4c5c(C)c(C)c6c7c(c(C)c(C)c(c(c1C)c34)c75)C6)C2
InChIInChI=1S/C30H28/c1-11-15(5)23-24-16(6)13(3)21-10-22-14(4)18(8)26(30(24)28(21)22)25-17(7)12(2)20-9-19(11)27(20)29(23)25/h9-10H2,1-8H3
InChIKeyIKEGZSUBFLWQQO-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene?
The IUPAC name of 8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene (CID 21023110) is 8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene.
What is the SMILES notation for 8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene?
The canonical SMILES for 8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene is Cc1c2c3c(c(C)c(C)c4c5c(C)c(C)c6c7c(c(C)c(C)c(c(c1C)c34)c75)C6)C2.
What is the InChIKey of 8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene?
The InChIKey is IKEGZSUBFLWQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28/c1-11-15(5)23-24-16(6)13(3)21-10-22-14(4)18(8)26(30(24)28(21)22)25-17(7)12(2)20-9-19(11)27(20)29(23)25/h9-10H2,1-8H3.
What are the key properties of 8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene?
8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene has a molecular weight of 388.55 g/mol, XLogP of 8.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,12,13,17,18,21,22-octamethylheptacyclo[12.4.2.22,5.03,10.04,7.011,19.016,20]docosa-1(18),2(22),3(10),4(7),5(21),8,11(19),12,14(20),16-decaene is sourced from PubChem (CID 21023110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).