(1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine

C43H31N5O — CID 142453060

IUPAC(1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine
SMILESN/C(=C\C=C(/N)c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c2oc2ccccc23)cc1)c1ccccc1
InChIInChI=1S/C43H31N5O/c44-37(29-12-4-1-5-13-29)24-25-38(45)30-22-20-28(21-23-30)35-26-33(27-36-34-18-10-11-19-39(34)49-40(35)36)43-47-41(31-14-6-2-7-15-31)46-42(48-43)32-16-8-3-9-17-32/h1-27H,44-45H2/b37-24-,38-25-
InChIKeyYUNHWJUQGFVJFV-TUPMYYBFSA-N
MW633.76 g/mol
LogP9.74
Rot. Bonds7

About (1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine

(1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine (PubChem CID 142453060) has the molecular formula C43H31N5O and a molecular weight of 633.76 g/mol. Its IUPAC name is (1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine
PubChem CID142453060
Molecular FormulaC43H31N5O
Molecular Weight633.76 g/mol
Exact Mass633.25
IUPAC Name(1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine
SMILESN/C(=C\C=C(/N)c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c2oc2ccccc23)cc1)c1ccccc1
InChIInChI=1S/C43H31N5O/c44-37(29-12-4-1-5-13-29)24-25-38(45)30-22-20-28(21-23-30)35-26-33(27-36-34-18-10-11-19-39(34)49-40(35)36)43-47-41(31-14-6-2-7-15-31)46-42(48-43)32-16-8-3-9-17-32/h1-27H,44-45H2/b37-24-,38-25-
InChIKeyYUNHWJUQGFVJFV-TUPMYYBFSA-N
XLogP9.74
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.76
LogP ≤ 59.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine with MolForge

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Related Compounds

2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 171416687
(1Z,3Z)-1-[2-(6,8-diphenyldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]-4-phenylbuta-1,3-diene-1,4-diamine
CID 153355172
2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496784
2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 138605256
1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 167485252
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566
2,4-diphenyl-6-[7-[4-(3-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378711
2-phenyl-4-[7-(2-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378592
2-phenyl-4-[7-(4-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206765
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine
CID 154949744
2,4-diphenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853604

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine?
The IUPAC name of (1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine (CID 142453060) is (1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine?
The canonical SMILES for (1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine is N/C(=C\C=C(/N)c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c2oc2ccccc23)cc1)c1ccccc1.
What is the InChIKey of (1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine?
The InChIKey is YUNHWJUQGFVJFV-TUPMYYBFSA-N. The full InChI is InChI=1S/C43H31N5O/c44-37(29-12-4-1-5-13-29)24-25-38(45)30-22-20-28(21-23-30)35-26-33(27-36-34-18-10-11-19-39(34)49-40(35)36)43-47-41(31-14-6-2-7-15-31)46-42(48-43)32-16-8-3-9-17-32/h1-27H,44-45H2/b37-24-,38-25-.
What are the key properties of (1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine?
(1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine has a molecular weight of 633.76 g/mol, XLogP of 9.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine is sourced from PubChem (CID 142453060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).