(11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene

C47H36N4 — CID 130351406

IUPAC(11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)/C=C\CN(c4cccc6ccccc46)c4ccccc4C5)cc3)n2)=CCC1
InChIInChI=1S/C47H36N4/c1-3-14-35(15-4-1)45-48-46(36-16-5-2-6-17-36)50-47(49-45)37-26-24-33(25-27-37)39-28-29-40-32-41-18-8-10-22-43(41)51(30-12-20-38(40)31-39)44-23-11-19-34-13-7-9-21-42(34)44/h1,3-5,7-29,31H,2,6,30,32H2/b20-12-
InChIKeyBGVOBFSTEKTAKZ-NDENLUEZSA-N
MW656.83 g/mol
LogP11.51
Rot. Bonds5

About (11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene

(11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene (PubChem CID 130351406) has the molecular formula C47H36N4 and a molecular weight of 656.83 g/mol. Its IUPAC name is (11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene.

Molecular Properties

Compound Name(11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene
PubChem CID130351406
Molecular FormulaC47H36N4
Molecular Weight656.83 g/mol
Exact Mass656.29
IUPAC Name(11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)/C=C\CN(c4cccc6ccccc46)c4ccccc4C5)cc3)n2)=CCC1
InChIInChI=1S/C47H36N4/c1-3-14-35(15-4-1)45-48-46(36-16-5-2-6-17-36)50-47(49-45)37-26-24-33(25-27-37)39-28-29-40-32-41-18-8-10-22-43(41)51(30-12-20-38(40)31-39)44-23-11-19-34-13-7-9-21-42(34)44/h1,3-5,7-29,31H,2,6,30,32H2/b20-12-
InChIKeyBGVOBFSTEKTAKZ-NDENLUEZSA-N
XLogP11.51
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene with MolForge

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384941
2-cyclohexa-1,5-dien-1-yl-4-[4-[3-[4-(5,6-dihydronaphthalen-2-yl)phenyl]pentan-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384673
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-6-[4-[4-[4-(3-phenylphenyl)phenyl]heptan-4-yl]phenyl]-1,3,5-triazine
CID 146384916
9-[3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381314
2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline
CID 142415982
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 174349088
9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 166988116
(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)boronic acid
CID 144602933
2-cyclohexa-1,5-dien-1-yl-4-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164569004
2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199069
9-[2-cyclohexa-1,5-dien-1-yl-4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole
CID 177276855

Frequently Asked Questions

What is the IUPAC name of (11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene?
The IUPAC name of (11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene (CID 130351406) is (11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene.
What is the SMILES notation for (11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene?
The canonical SMILES for (11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene is C1=CC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)/C=C\CN(c4cccc6ccccc46)c4ccccc4C5)cc3)n2)=CCC1.
What is the InChIKey of (11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene?
The InChIKey is BGVOBFSTEKTAKZ-NDENLUEZSA-N. The full InChI is InChI=1S/C47H36N4/c1-3-14-35(15-4-1)45-48-46(36-16-5-2-6-17-36)50-47(49-45)37-26-24-33(25-27-37)39-28-29-40-32-41-18-8-10-22-43(41)51(30-12-20-38(40)31-39)44-23-11-19-34-13-7-9-21-42(34)44/h1,3-5,7-29,31H,2,6,30,32H2/b20-12-.
What are the key properties of (11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene?
(11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene has a molecular weight of 656.83 g/mol, XLogP of 11.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene is sourced from PubChem (CID 130351406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).