(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine

C29H26N2 — CID 142288324

IUPAC(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine
SMILESC=C/C=C1C(=C/C)\N(c2ccc3ccccc3c2)C(C=C)=C(C=C)N\1c1ccccc1
InChIInChI=1S/C29H26N2/c1-5-14-29-28(8-4)31(25-20-19-22-15-12-13-16-23(22)21-25)27(7-3)26(6-2)30(29)24-17-10-9-11-18-24/h5-21H,1-3H2,4H3/b28-8+,29-14+
InChIKeyNQPABRZMTBOXSH-STANJUFISA-N
MW402.54 g/mol
LogP7.72
Rot. Bonds5

About (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine

(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine (PubChem CID 142288324) has the molecular formula C29H26N2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine.

Molecular Properties

Compound Name(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine
PubChem CID142288324
Molecular FormulaC29H26N2
Molecular Weight402.54 g/mol
Exact Mass402.21
IUPAC Name(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine
SMILESC=C/C=C1C(=C/C)\N(c2ccc3ccccc3c2)C(C=C)=C(C=C)N\1c1ccccc1
InChIInChI=1S/C29H26N2/c1-5-14-29-28(8-4)31(25-20-19-22-15-12-13-16-23(22)21-25)27(7-3)26(6-2)30(29)24-17-10-9-11-18-24/h5-21H,1-3H2,4H3/b28-8+,29-14+
InChIKeyNQPABRZMTBOXSH-STANJUFISA-N
XLogP7.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine 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

(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-4-phenyl-5-prop-2-enylidene-1,4-oxazine
CID 145446589
(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
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-ethenyl-1,4-diphenyl-3-[(Z)-prop-1-enyl]quinoxaline
CID 142288460
naphthalene;prop-1-ene
CID 22255850
ethane;2-naphthalen-2-ylnaphthalene;bis(prop-1-ene)
CID 144938631
ethane;(3Z)-2-methylidene-3-prop-2-enylidenenaphthalene
CID 144920496
5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione
CID 683213
10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 158973199
15,30-dinaphthalen-2-yl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene;prop-1-ene
CID 145241548
6,13-dinaphthalen-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 132869360

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine?
The IUPAC name of (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine (CID 142288324) is (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine.
What is the SMILES notation for (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine?
The canonical SMILES for (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine is C=C/C=C1C(=C/C)\N(c2ccc3ccccc3c2)C(C=C)=C(C=C)N\1c1ccccc1.
What is the InChIKey of (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine?
The InChIKey is NQPABRZMTBOXSH-STANJUFISA-N. The full InChI is InChI=1S/C29H26N2/c1-5-14-29-28(8-4)31(25-20-19-22-15-12-13-16-23(22)21-25)27(7-3)26(6-2)30(29)24-17-10-9-11-18-24/h5-21H,1-3H2,4H3/b28-8+,29-14+.
What are the key properties of (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine?
(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine has a molecular weight of 402.54 g/mol, XLogP of 7.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine is sourced from PubChem (CID 142288324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).