8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol

C45H28N4O7 — CID 174169203

IUPAC8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol
SMILESOc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c2c(oc3c(O)c(-n4c5ccccc5c5c(-c6ccccc6)cccc54)c(O)c(O)c32)c1O
InChIInChI=1S/C45H28N4O7/c50-35-31-32-36(51)38(53)34(49-28-21-11-10-19-27(28)30-26(20-12-22-29(30)49)23-13-4-1-5-14-23)39(54)41(32)56-42(31)40(55)37(52)33(35)45-47-43(24-15-6-2-7-16-24)46-44(48-45)25-17-8-3-9-18-25/h1-22,50-55H
InChIKeyBPABBFGDCHGJBF-UHFFFAOYSA-N
MW736.74 g/mol
LogP9.77
Rot. Bonds5

About 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol (PubChem CID 174169203) has the molecular formula C45H28N4O7 and a molecular weight of 736.74 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol
PubChem CID174169203
Molecular FormulaC45H28N4O7
Molecular Weight736.74 g/mol
Exact Mass736.20
IUPAC Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol
SMILESOc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c2c(oc3c(O)c(-n4c5ccccc5c5c(-c6ccccc6)cccc54)c(O)c(O)c32)c1O
InChIInChI=1S/C45H28N4O7/c50-35-31-32-36(51)38(53)34(49-28-21-11-10-19-27(28)30-26(20-12-22-29(30)49)23-13-4-1-5-14-23)39(54)41(32)56-42(31)40(55)37(52)33(35)45-47-43(24-15-6-2-7-16-24)46-44(48-45)25-17-8-3-9-18-25/h1-22,50-55H
InChIKeyBPABBFGDCHGJBF-UHFFFAOYSA-N
XLogP9.77
TPSA178.12 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500736.74
LogP ≤ 59.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
3-(4-carbazol-9-ylcarbazol-9-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophene-1,2,4,6,8,9-hexol
CID 174170439
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
CID 174073672
CID 174073672
4-[4-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736762
4-dibenzofuran-3-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 163494114
9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-4-yl]carbazole
CID 176871191
9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 170106292
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171599823
2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164838475
9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170106843

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol?
The IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol (CID 174169203) is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol.
What is the SMILES notation for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol?
The canonical SMILES for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol is Oc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c2c(oc3c(O)c(-n4c5ccccc5c5c(-c6ccccc6)cccc54)c(O)c(O)c32)c1O.
What is the InChIKey of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol?
The InChIKey is BPABBFGDCHGJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O7/c50-35-31-32-36(51)38(53)34(49-28-21-11-10-19-27(28)30-26(20-12-22-29(30)49)23-13-4-1-5-14-23)39(54)41(32)56-42(31)40(55)37(52)33(35)45-47-43(24-15-6-2-7-16-24)46-44(48-45)25-17-8-3-9-18-25/h1-22,50-55H.
What are the key properties of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol?
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol has a molecular weight of 736.74 g/mol, XLogP of 9.77, 5 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylcarbazol-9-yl)dibenzofuran-1,2,4,6,7,9-hexol is sourced from PubChem (CID 174169203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).