(3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene]

C36H30 — CID 145331695

IUPAC(3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene]
SMILESC=C1/C=C\C/C=C\C(=C)C2(C3=C1C=CC(C)(c1ccccc1)C=C3)c1ccccc1-c1ccccc12
InChIInChI=1S/C36H30/c1-26-14-6-4-7-15-27(2)36(32-20-12-10-18-30(32)31-19-11-13-21-33(31)36)34-23-25-35(3,24-22-29(26)34)28-16-8-5-9-17-28/h5-25H,1-2,4H2,3H3/b14-6-,15-7-
InChIKeyFTJWNOHNDGSEPW-LRSUZXNRSA-N
MW462.64 g/mol
LogP8.96
Rot. Bonds1

About (3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene]

(3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene] (PubChem CID 145331695) has the molecular formula C36H30 and a molecular weight of 462.64 g/mol. Its IUPAC name is (3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene].

Molecular Properties

Compound Name(3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene]
PubChem CID145331695
Molecular FormulaC36H30
Molecular Weight462.64 g/mol
Exact Mass462.23
IUPAC Name(3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene]
SMILESC=C1/C=C\C/C=C\C(=C)C2(C3=C1C=CC(C)(c1ccccc1)C=C3)c1ccccc1-c1ccccc12
InChIInChI=1S/C36H30/c1-26-14-6-4-7-15-27(2)36(32-20-12-10-18-30(32)31-19-11-13-21-33(31)36)34-23-25-35(3,24-22-29(26)34)28-16-8-5-9-17-28/h5-25H,1-2,4H2,3H3/b14-6-,15-7-
InChIKeyFTJWNOHNDGSEPW-LRSUZXNRSA-N
XLogP8.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene] 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

ethane;10,10'-spirobi[7H-benzo[a]azulene]
CID 168937553
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
9,9-dimethylfluorene;tris(N,N-dimethylmethanamine);9,9-diphenylfluorene;ethane;tetrakis(9,9'-spirobi[fluorene])
CID 161352369
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohexa-1,5-dien-1-ylfluorene;ethane
CID 144721270
2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine
CID 167268597
4,7,7-trimethyl-3-propylspiro[benzo[a]azulene-10,9'-fluorene]
CID 123201357

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene]?
The IUPAC name of (3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene] (CID 145331695) is (3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene].
What is the SMILES notation for (3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene]?
The canonical SMILES for (3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene] is C=C1/C=C\C/C=C\C(=C)C2(C3=C1C=CC(C)(c1ccccc1)C=C3)c1ccccc1-c1ccccc12.
What is the InChIKey of (3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene]?
The InChIKey is FTJWNOHNDGSEPW-LRSUZXNRSA-N. The full InChI is InChI=1S/C36H30/c1-26-14-6-4-7-15-27(2)36(32-20-12-10-18-30(32)31-19-11-13-21-33(31)36)34-23-25-35(3,24-22-29(26)34)28-16-8-5-9-17-28/h5-25H,1-2,4H2,3H3/b14-6-,15-7-.
What are the key properties of (3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene]?
(3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene] has a molecular weight of 462.64 g/mol, XLogP of 8.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene] is sourced from PubChem (CID 145331695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).