(1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene]

C30H26 — CID 142293371

IUPAC(1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene]
SMILESC=C1/C=c2/cccc/c2=C/Cc2c(C)cccc2C12C/C=C\C=C/c1ccccc12
InChIInChI=1S/C30H26/c1-22-11-10-17-29-27(22)19-18-24-12-5-6-15-26(24)21-23(2)30(29)20-9-3-4-13-25-14-7-8-16-28(25)30/h3-18,21H,2,19-20H2,1H3/b9-3-,13-4-,24-18-,26-21-
InChIKeyNIOHZVUMBGTIFB-IMGUHTTOSA-N
MW386.54 g/mol
LogP5.63
Rot. Bonds

About (1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene]

(1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene] (PubChem CID 142293371) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is (1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene].

Molecular Properties

Compound Name(1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene]
PubChem CID142293371
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name(1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene]
SMILESC=C1/C=c2/cccc/c2=C/Cc2c(C)cccc2C12C/C=C\C=C/c1ccccc12
InChIInChI=1S/C30H26/c1-22-11-10-17-29-27(22)19-18-24-12-5-6-15-26(24)21-23(2)30(29)20-9-3-4-13-25-14-7-8-16-28(25)30/h3-18,21H,2,19-20H2,1H3/b9-3-,13-4-,24-18-,26-21-
InChIKeyNIOHZVUMBGTIFB-IMGUHTTOSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene] with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene]?
The IUPAC name of (1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene] (CID 142293371) is (1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene].
What is the SMILES notation for (1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene]?
The canonical SMILES for (1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene] is C=C1/C=c2/cccc/c2=C/Cc2c(C)cccc2C12C/C=C\C=C/c1ccccc12.
What is the InChIKey of (1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene]?
The InChIKey is NIOHZVUMBGTIFB-IMGUHTTOSA-N. The full InChI is InChI=1S/C30H26/c1-22-11-10-17-29-27(22)19-18-24-12-5-6-15-26(24)21-23(2)30(29)20-9-3-4-13-25-14-7-8-16-28(25)30/h3-18,21H,2,19-20H2,1H3/b9-3-,13-4-,24-18-,26-21-.
What are the key properties of (1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene]?
(1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene] has a molecular weight of 386.54 g/mol, XLogP of 5.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1'Z,5Z,7Z,12'Z)-5'-methyl-11'-methylidenespiro[9H-benzo[8]annulene-10,10'-tricyclo[11.4.0.04,9]heptadeca-1,4,6,8,12,14,16-heptaene] is sourced from PubChem (CID 142293371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).