(13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene

C29H24N2 — CID 145241491

IUPAC(13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene
SMILESC=C/C1=C(\C=C)c2c([nH]c3ccccc23)-c2ccccc2-c2[nH]c(C=C)c(/C=C\C)c21
InChIInChI=1S/C29H24N2/c1-5-13-22-24(8-4)30-28-20-14-9-10-15-21(20)29-27(19(7-3)18(6-2)26(22)28)23-16-11-12-17-25(23)31-29/h5-17,30-31H,2-4H2,1H3/b13-5-,19-18-,26-18-,27-19-,28-20+,29-21+
InChIKeyHCQLUFODAPNQDV-MZQSTQOWSA-N
MW400.53 g/mol
LogP8.10
Rot. Bonds4

About (13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene

(13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene (PubChem CID 145241491) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is (13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene.

Molecular Properties

Compound Name(13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene
PubChem CID145241491
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC Name(13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene
SMILESC=C/C1=C(\C=C)c2c([nH]c3ccccc23)-c2ccccc2-c2[nH]c(C=C)c(/C=C\C)c21
InChIInChI=1S/C29H24N2/c1-5-13-22-24(8-4)30-28-20-14-9-10-15-21(20)29-27(19(7-3)18(6-2)26(22)28)23-16-11-12-17-25(23)31-29/h5-17,30-31H,2-4H2,1H3/b13-5-,19-18-,26-18-,27-19-,28-20+,29-21+
InChIKeyHCQLUFODAPNQDV-MZQSTQOWSA-N
XLogP8.10
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze (13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene with MolForge

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Related Compounds

(17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene
CID 145241572
ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1,10-dihydropyrrolo[2,3-a]carbazole;methane
CID 145126089
4-ethenyl-5-[(Z)-prop-1-enyl]-3,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
CID 142254198
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione
CID 143318864
5H-indeno[1,2-b]indol-10-one
CID 2785776
(21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol
CID 145243588
4-ethenyl-8-hydroxy-5-[(Z)-prop-1-enyl]-3,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaen-10-one;methane;methanethiol
CID 142044354
2-ethenyl-N,N-dinaphthalen-1-yl-3-[(Z)-prop-1-enyl]-1H-indol-5-amine
CID 143420435
2,3-bis(2-chlorophenyl)-1H-indole
CID 132600701
7H-benzo[c]carbazole-5,6-dione
CID 11207363
1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol
CID 143138999
2-prop-2-enoxy-1-[(E)-prop-1-enyl]-9H-carbazole
CID 102292352

Frequently Asked Questions

What is the IUPAC name of (13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene?
The IUPAC name of (13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene (CID 145241491) is (13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene.
What is the SMILES notation for (13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene?
The canonical SMILES for (13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene is C=C/C1=C(\C=C)c2c([nH]c3ccccc23)-c2ccccc2-c2[nH]c(C=C)c(/C=C\C)c21.
What is the InChIKey of (13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene?
The InChIKey is HCQLUFODAPNQDV-MZQSTQOWSA-N. The full InChI is InChI=1S/C29H24N2/c1-5-13-22-24(8-4)30-28-20-14-9-10-15-21(20)29-27(19(7-3)18(6-2)26(22)28)23-16-11-12-17-25(23)31-29/h5-17,30-31H,2-4H2,1H3/b13-5-,19-18-,26-18-,27-19-,28-20+,29-21+.
What are the key properties of (13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene?
(13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene has a molecular weight of 400.53 g/mol, XLogP of 8.10, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene is sourced from PubChem (CID 145241491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).