5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine

C46H37N5O — CID 164825917

IUPAC5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccc(-c5ccccc5)cc4)ccc23)nc2nncnc21
InChIInChI=1S/C46H37N5O/c1-28(2)39-24-35(31-14-9-6-10-15-31)25-40(29(3)4)42(39)51-45(49-44-46(51)47-27-48-50-44)38-17-11-16-37-36-23-22-34(26-41(36)52-43(37)38)33-20-18-32(19-21-33)30-12-7-5-8-13-30/h5-29H,1-4H3
InChIKeyJHDOTXYWAKIGNU-UHFFFAOYSA-N
MW675.84 g/mol
LogP12.02
Rot. Bonds7

About 5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine

5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine (PubChem CID 164825917) has the molecular formula C46H37N5O and a molecular weight of 675.84 g/mol. Its IUPAC name is 5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine.

Molecular Properties

Compound Name5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine
PubChem CID164825917
Molecular FormulaC46H37N5O
Molecular Weight675.84 g/mol
Exact Mass675.30
IUPAC Name5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccc(-c5ccccc5)cc4)ccc23)nc2nncnc21
InChIInChI=1S/C46H37N5O/c1-28(2)39-24-35(31-14-9-6-10-15-31)25-40(29(3)4)42(39)51-45(49-44-46(51)47-27-48-50-44)38-17-11-16-37-36-23-22-34(26-41(36)52-43(37)38)33-20-18-32(19-21-33)30-12-7-5-8-13-30/h5-29H,1-4H3
InChIKeyJHDOTXYWAKIGNU-UHFFFAOYSA-N
XLogP12.02
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.84
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine
CID 164824369
2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine
CID 164825026
6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine
CID 164825526
3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline
CID 164826222
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline
CID 164824560
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
3-[6-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]benzonitrile
CID 171461592
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624347
1-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 176865596
6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine
CID 164825846

Frequently Asked Questions

What is the IUPAC name of 5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine?
The IUPAC name of 5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine (CID 164825917) is 5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine.
What is the SMILES notation for 5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine?
The canonical SMILES for 5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccc(-c5ccccc5)cc4)ccc23)nc2nncnc21.
What is the InChIKey of 5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine?
The InChIKey is JHDOTXYWAKIGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N5O/c1-28(2)39-24-35(31-14-9-6-10-15-31)25-40(29(3)4)42(39)51-45(49-44-46(51)47-27-48-50-44)38-17-11-16-37-36-23-22-34(26-41(36)52-43(37)38)33-20-18-32(19-21-33)30-12-7-5-8-13-30/h5-29H,1-4H3.
What are the key properties of 5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine?
5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine has a molecular weight of 675.84 g/mol, XLogP of 12.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine is sourced from PubChem (CID 164825917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).