ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene

C30H38N2 — CID 145243583

IUPACethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene
SMILESC=Cc1c(/C=C\C)[nH]c2c1/C=C\c1c(ccc3c(/C=C\C)c(C)[nH]c13)CC2=C.CC.CC
InChIInChI=1S/C26H26N2.2C2H6/c1-6-9-20-17(5)27-26-21-13-14-22-19(8-3)24(10-7-2)28-25(22)16(4)15-18(21)11-12-23(20)26;2*1-2/h6-14,27-28H,3-4,15H2,1-2,5H3;2*1-2H3/b9-6-,10-7-,14-13-;;
InChIKeyOVIKEKQENLWVHI-FKTSYKJBSA-N
MW426.65 g/mol
LogP9.31
Rot. Bonds3

About ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene

ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene (PubChem CID 145243583) has the molecular formula C30H38N2 and a molecular weight of 426.65 g/mol. Its IUPAC name is ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene.

Molecular Properties

Compound Nameethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene
PubChem CID145243583
Molecular FormulaC30H38N2
Molecular Weight426.65 g/mol
Exact Mass426.30
IUPAC Nameethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene
SMILESC=Cc1c(/C=C\C)[nH]c2c1/C=C\c1c(ccc3c(/C=C\C)c(C)[nH]c13)CC2=C.CC.CC
InChIInChI=1S/C26H26N2.2C2H6/c1-6-9-20-17(5)27-26-21-13-14-22-19(8-3)24(10-7-2)28-25(22)16(4)15-18(21)11-12-23(20)26;2*1-2/h6-14,27-28H,3-4,15H2,1-2,5H3;2*1-2H3/b9-6-,10-7-,14-13-;;
InChIKeyOVIKEKQENLWVHI-FKTSYKJBSA-N
XLogP9.31
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 59.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene?
The IUPAC name of ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene (CID 145243583) is ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene.
What is the SMILES notation for ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene?
The canonical SMILES for ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene is C=Cc1c(/C=C\C)[nH]c2c1/C=C\c1c(ccc3c(/C=C\C)c(C)[nH]c13)CC2=C.CC.CC.
What is the InChIKey of ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene?
The InChIKey is OVIKEKQENLWVHI-FKTSYKJBSA-N. The full InChI is InChI=1S/C26H26N2.2C2H6/c1-6-9-20-17(5)27-26-21-13-14-22-19(8-3)24(10-7-2)28-25(22)16(4)15-18(21)11-12-23(20)26;2*1-2/h6-14,27-28H,3-4,15H2,1-2,5H3;2*1-2H3/b9-6-,10-7-,14-13-;;.
What are the key properties of ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene?
ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene has a molecular weight of 426.65 g/mol, XLogP of 9.31, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(9Z)-7-ethenyl-14-methyl-3-methylidene-6,15-bis[(Z)-prop-1-enyl]-5,13-diazatetracyclo[9.7.0.04,8.012,16]octadeca-1(11),4(8),6,9,12(16),14,17-heptaene is sourced from PubChem (CID 145243583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).