3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole

C56H35N5O — CID 154949991

IUPAC3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C56H35N5O/c1-3-11-39(12-4-1)54-58-55(41-23-25-48-47-16-8-10-18-52(47)62-53(48)35-41)60-56(59-54)44-32-42(37-21-19-36(20-22-37)38-27-29-57-30-28-38)31-43(33-44)40-24-26-51-49(34-40)46-15-7-9-17-50(46)61(51)45-13-5-2-6-14-45/h1-35H
InChIKeyVFLVYGNGRNSBIG-UHFFFAOYSA-N
MW793.93 g/mol
LogP14.27
Rot. Bonds7

About 3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole

3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole (PubChem CID 154949991) has the molecular formula C56H35N5O and a molecular weight of 793.93 g/mol. Its IUPAC name is 3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole
PubChem CID154949991
Molecular FormulaC56H35N5O
Molecular Weight793.93 g/mol
Exact Mass793.28
IUPAC Name3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C56H35N5O/c1-3-11-39(12-4-1)54-58-55(41-23-25-48-47-16-8-10-18-52(47)62-53(48)35-41)60-56(59-54)44-32-42(37-21-19-36(20-22-37)38-27-29-57-30-28-38)31-43(33-44)40-24-26-51-49(34-40)46-15-7-9-17-50(46)61(51)45-13-5-2-6-14-45/h1-35H
InChIKeyVFLVYGNGRNSBIG-UHFFFAOYSA-N
XLogP14.27
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381
3-[8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342236
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418
3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 146702712
3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334
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-(3,5-diphenylphenyl)-3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 147624176
3,9-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166009426
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 166009395
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
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole (CID 154949991) is 3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole?
The InChIKey is VFLVYGNGRNSBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O/c1-3-11-39(12-4-1)54-58-55(41-23-25-48-47-16-8-10-18-52(47)62-53(48)35-41)60-56(59-54)44-32-42(37-21-19-36(20-22-37)38-27-29-57-30-28-38)31-43(33-44)40-24-26-51-49(34-40)46-15-7-9-17-50(46)61(51)45-13-5-2-6-14-45/h1-35H.
What are the key properties of 3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole?
3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole has a molecular weight of 793.93 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 154949991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).