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

C46H30N4O — CID 170106297

IUPAC9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2c(Cc4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1
InChIInChI=1S/C46H30N4O/c1-4-14-30(15-5-1)33-26-27-40-38(28-33)35-21-10-11-24-39(35)50(40)41-25-13-23-37-36-22-12-20-34(43(36)51-44(37)41)29-42-47-45(31-16-6-2-7-17-31)49-46(48-42)32-18-8-3-9-19-32/h1-28H,29H2
InChIKeyJDTXDEQTWKAJPI-UHFFFAOYSA-N
MW654.77 g/mol
LogP11.46
Rot. Bonds6

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

9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole (PubChem CID 170106297) has the molecular formula C46H30N4O and a molecular weight of 654.77 g/mol. Its IUPAC name is 9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole
PubChem CID170106297
Molecular FormulaC46H30N4O
Molecular Weight654.77 g/mol
Exact Mass654.24
IUPAC Name9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2c(Cc4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1
InChIInChI=1S/C46H30N4O/c1-4-14-30(15-5-1)33-26-27-40-38(28-33)35-21-10-11-24-39(35)50(40)41-25-13-23-37-36-22-12-20-34(43(36)51-44(37)41)29-42-47-45(31-16-6-2-7-17-31)49-46(48-42)32-18-8-3-9-19-32/h1-28H,29H2
InChIKeyJDTXDEQTWKAJPI-UHFFFAOYSA-N
XLogP11.46
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole;9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3-phenylcarbazole;2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 158100934
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole
CID 146395667
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211165
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146335703
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole
CID 134236150
9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole
CID 174196098
CID 174072136
CID 174072136
9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 168769877
9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580

Frequently Asked Questions

What is the IUPAC name of 9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole?
The IUPAC name of 9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole (CID 170106297) is 9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2c(Cc4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1.
What is the InChIKey of 9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole?
The InChIKey is JDTXDEQTWKAJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O/c1-4-14-30(15-5-1)33-26-27-40-38(28-33)35-21-10-11-24-39(35)50(40)41-25-13-23-37-36-22-12-20-34(43(36)51-44(37)41)29-42-47-45(31-16-6-2-7-17-31)49-46(48-42)32-18-8-3-9-19-32/h1-28H,29H2.
What are the key properties of 9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole?
9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole has a molecular weight of 654.77 g/mol, XLogP of 11.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole is sourced from PubChem (CID 170106297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).