(9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene

C28H29N — CID 143027605

IUPAC(9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene
SMILESC=C/C=C1C(=C/C)\N(c2ccccc2)C(C=C)=C(C=C)C\12CC(C=C)=C(C=C)C2
InChIInChI=1S/C28H29N/c1-7-16-25-27(12-6)29(23-17-14-13-15-18-23)26(11-5)24(10-4)28(25)19-21(8-2)22(9-3)20-28/h7-18H,1-5,19-20H2,6H3/b25-16+,27-12+
InChIKeyDPGLQRQRDWKCQG-QJTUVXCNSA-N
MW379.55 g/mol
LogP7.60
Rot. Bonds6

About (9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene

(9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene (PubChem CID 143027605) has the molecular formula C28H29N and a molecular weight of 379.55 g/mol. Its IUPAC name is (9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene.

Molecular Properties

Compound Name(9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene
PubChem CID143027605
Molecular FormulaC28H29N
Molecular Weight379.55 g/mol
Exact Mass379.23
IUPAC Name(9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene
SMILESC=C/C=C1C(=C/C)\N(c2ccccc2)C(C=C)=C(C=C)C\12CC(C=C)=C(C=C)C2
InChIInChI=1S/C28H29N/c1-7-16-25-27(12-6)29(23-17-14-13-15-18-23)26(11-5)24(10-4)28(25)19-21(8-2)22(9-3)20-28/h7-18H,1-5,19-20H2,6H3/b25-16+,27-12+
InChIKeyDPGLQRQRDWKCQG-QJTUVXCNSA-N
XLogP7.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene with MolForge

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Related Compounds

(5E,6E)-2-ethenyl-5-ethylidene-1,4-diphenyl-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenepyrazine
CID 142288113
(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine
CID 142288324
(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-phenyl-5-prop-2-enylidene-1,4-oxazine
CID 145446589
2-ethenyl-1,4-diphenyl-3-[(Z)-prop-1-enyl]quinoxaline
CID 142288460
(4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole
CID 142288109
ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole
CID 142288278
2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline
CID 145413654
(4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane
CID 143027804
2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline
CID 144670337
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane
CID 145383928
(5Z,6E)-2-ethenyl-6-ethylidene-1,4,4-trimethyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine;2-[2-[(1Z,3Z)-hexa-1,3,5-trienyl]-5-methylphenyl]aniline;3-methyl-9-phenylcarbazole
CID 142288030
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine
CID 145125517

Frequently Asked Questions

What is the IUPAC name of (9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene?
The IUPAC name of (9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene (CID 143027605) is (9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene.
What is the SMILES notation for (9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene?
The canonical SMILES for (9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene is C=C/C=C1C(=C/C)\N(c2ccccc2)C(C=C)=C(C=C)C\12CC(C=C)=C(C=C)C2.
What is the InChIKey of (9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene?
The InChIKey is DPGLQRQRDWKCQG-QJTUVXCNSA-N. The full InChI is InChI=1S/C28H29N/c1-7-16-25-27(12-6)29(23-17-14-13-15-18-23)26(11-5)24(10-4)28(25)19-21(8-2)22(9-3)20-28/h7-18H,1-5,19-20H2,6H3/b25-16+,27-12+.
What are the key properties of (9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene?
(9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene has a molecular weight of 379.55 g/mol, XLogP of 7.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene is sourced from PubChem (CID 143027605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).