3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole

C45H28N4O — CID 166953160

IUPAC3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6ccccc6)c5c4c3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)32-23-25-39-36(27-32)35-19-10-11-21-38(35)49(39)45-47-43(31-17-8-3-9-18-31)46-44(48-45)33-24-26-40-37(28-33)42-34(20-12-22-41(42)50-40)30-15-6-2-7-16-30/h1-28H
InChIKeyCMGKEQIEUNXHLL-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

About 3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole

3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 166953160) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID166953160
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6ccccc6)c5c4c3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)32-23-25-39-36(27-32)35-19-10-11-21-38(35)49(39)45-47-43(31-17-8-3-9-18-31)46-44(48-45)33-24-26-40-37(28-33)42-34(20-12-22-41(42)50-40)30-15-6-2-7-16-30/h1-28H
InChIKeyCMGKEQIEUNXHLL-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309636
9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole
CID 165078479
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309800
9-[4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358272
9-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358426
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
9-[4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358091
2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475085
3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167293093

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole (CID 166953160) is 3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6ccccc6)c5c4c3)n2)cc1.
What is the InChIKey of 3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is CMGKEQIEUNXHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-13-29(14-5-1)32-23-25-39-36(27-32)35-19-10-11-21-38(35)49(39)45-47-43(31-17-8-3-9-18-31)46-44(48-45)33-24-26-40-37(28-33)42-34(20-12-22-41(42)50-40)30-15-6-2-7-16-30/h1-28H.
What are the key properties of 3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166953160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).