(15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene

C34H23N5O — CID 118507023

IUPAC(15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene
SMILESC=C1/C=C\C=C/CN(c2ccc3c(c2)c2ccccc2n3-c2ncncn2)c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C34H23N5O/c1-22-9-3-2-8-18-38(32-24(22)15-16-27-26-11-5-7-13-31(26)40-33(27)32)23-14-17-30-28(19-23)25-10-4-6-12-29(25)39(30)34-36-20-35-21-37-34/h2-17,19-21H,1,18H2/b8-2-,9-3-
InChIKeyOIKJYZRLNPIIAD-LAWPVJTFSA-N
MW517.59 g/mol
LogP8.15
Rot. Bonds2

About (15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene

(15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene (PubChem CID 118507023) has the molecular formula C34H23N5O and a molecular weight of 517.59 g/mol. Its IUPAC name is (15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene.

Molecular Properties

Compound Name(15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene
PubChem CID118507023
Molecular FormulaC34H23N5O
Molecular Weight517.59 g/mol
Exact Mass517.19
IUPAC Name(15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene
SMILESC=C1/C=C\C=C/CN(c2ccc3c(c2)c2ccccc2n3-c2ncncn2)c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C34H23N5O/c1-22-9-3-2-8-18-38(32-24(22)15-16-27-26-11-5-7-13-31(26)40-33(27)32)23-14-17-30-28(19-23)25-10-4-6-12-29(25)39(30)34-36-20-35-21-37-34/h2-17,19-21H,1,18H2/b8-2-,9-3-
InChIKeyOIKJYZRLNPIIAD-LAWPVJTFSA-N
XLogP8.15
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.59
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene?
The IUPAC name of (15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene (CID 118507023) is (15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene.
What is the SMILES notation for (15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene?
The canonical SMILES for (15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene is C=C1/C=C\C=C/CN(c2ccc3c(c2)c2ccccc2n3-c2ncncn2)c2c1ccc1c2oc2ccccc21.
What is the InChIKey of (15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene?
The InChIKey is OIKJYZRLNPIIAD-LAWPVJTFSA-N. The full InChI is InChI=1S/C34H23N5O/c1-22-9-3-2-8-18-38(32-24(22)15-16-27-26-11-5-7-13-31(26)40-33(27)32)23-14-17-30-28(19-23)25-10-4-6-12-29(25)39(30)34-36-20-35-21-37-34/h2-17,19-21H,1,18H2/b8-2-,9-3-.
What are the key properties of (15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene?
(15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene has a molecular weight of 517.59 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (15Z,17Z)-14-methylidene-20-[9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3-oxa-20-azatetracyclo[11.7.0.02,10.04,9]icosa-1(13),2(10),4,6,8,11,15,17-octaene is sourced from PubChem (CID 118507023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).