3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole

C63H38N4O2 — CID 168768312

IUPAC3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc6c45)n3)cc2)cc1
InChIInChI=1S/C63H38N4O2/c1-4-13-39(14-5-1)41-23-25-42(26-24-41)61-64-62(46-28-31-49-48-19-10-11-21-56(48)68-58(49)38-46)66-63(65-61)51-20-12-22-57-60(51)50-32-27-45(37-59(50)69-57)44-30-34-55-53(36-44)52-35-43(40-15-6-2-7-16-40)29-33-54(52)67(55)47-17-8-3-9-18-47/h1-38H
InChIKeyNXSVXOHSEJLDHX-UHFFFAOYSA-N
MW883.02 g/mol
LogP16.77
Rot. Bonds7

About 3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole

3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole (PubChem CID 168768312) has the molecular formula C63H38N4O2 and a molecular weight of 883.02 g/mol. Its IUPAC name is 3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole
PubChem CID168768312
Molecular FormulaC63H38N4O2
Molecular Weight883.02 g/mol
Exact Mass882.30
IUPAC Name3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc6c45)n3)cc2)cc1
InChIInChI=1S/C63H38N4O2/c1-4-13-39(14-5-1)41-23-25-42(26-24-41)61-64-62(46-28-31-49-48-19-10-11-21-56(48)68-58(49)38-46)66-63(65-61)51-20-12-22-57-60(51)50-32-27-45(37-59(50)69-57)44-30-34-55-53(36-44)52-35-43(40-15-6-2-7-16-40)29-33-54(52)67(55)47-17-8-3-9-18-47/h1-38H
InChIKeyNXSVXOHSEJLDHX-UHFFFAOYSA-N
XLogP16.77
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.02
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168768081
3,9-diphenyl-6-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168768833
3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 168768477
3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767734
9-phenyl-3-[4-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 168767881
3-[9-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768803
9-phenyl-3-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767897
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-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767917
3-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768287
3-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 168768203
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole (CID 168768312) is 3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole.
What is the SMILES notation for 3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole?
The canonical SMILES for 3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc6c45)n3)cc2)cc1.
What is the InChIKey of 3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole?
The InChIKey is NXSVXOHSEJLDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4O2/c1-4-13-39(14-5-1)41-23-25-42(26-24-41)61-64-62(46-28-31-49-48-19-10-11-21-56(48)68-58(49)38-46)66-63(65-61)51-20-12-22-57-60(51)50-32-27-45(37-59(50)69-57)44-30-34-55-53(36-44)52-35-43(40-15-6-2-7-16-40)29-33-54(52)67(55)47-17-8-3-9-18-47/h1-38H.
What are the key properties of 3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole?
3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole has a molecular weight of 883.02 g/mol, XLogP of 16.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 168768312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).