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

C51H32N4O — CID 164998334

IUPAC3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc65)c4)cc3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-3-12-34(13-4-1)49-52-50(35-14-5-2-6-15-35)54-51(53-49)36-24-22-33(23-25-36)37-16-11-17-40(30-37)55-45-20-9-7-18-41(45)44-31-38(27-29-46(44)55)39-26-28-43-42-19-8-10-21-47(42)56-48(43)32-39/h1-32H
InChIKeyCMDRPWZUZSEMHA-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

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

3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (PubChem CID 164998334) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
PubChem CID164998334
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc65)c4)cc3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-3-12-34(13-4-1)49-52-50(35-14-5-2-6-15-35)54-51(53-49)36-24-22-33(23-25-36)37-16-11-17-40(30-37)55-45-20-9-7-18-41(45)44-31-38(27-29-46(44)55)39-26-28-43-42-19-8-10-21-47(42)56-48(43)32-39/h1-32H
InChIKeyCMDRPWZUZSEMHA-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-dibenzofuran-3-yl-9-[3-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631973
9-[3-[4-dibenzofuran-3-yl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 149015024
9-[3-[4-dibenzofuran-3-yl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159113305
9-[3-[4-[4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 162230336
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171437863
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171438053
9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728
3-[8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342236
9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767909
3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335804
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (CID 164998334) is 3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc65)c4)cc3)n2)cc1.
What is the InChIKey of 3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The InChIKey is CMDRPWZUZSEMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-3-12-34(13-4-1)49-52-50(35-14-5-2-6-15-35)54-51(53-49)36-24-22-33(23-25-36)37-16-11-17-40(30-37)55-45-20-9-7-18-41(45)44-31-38(27-29-46(44)55)39-26-28-43-42-19-8-10-21-47(42)56-48(43)32-39/h1-32H.
What are the key properties of 3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 164998334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).