3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole

C61H48N4O — CID 166851948

IUPAC3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole
SMILESCC1(C)[C@H]2CCC(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7oc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8c7c6)ccc4n5-c4ccccc4)cc3)[C@]1(C)C2
InChIInChI=1S/C61H48N4O/c1-60(2)45-29-30-51(61(60,3)37-45)39-24-22-38(23-25-39)42-26-31-52-48(34-42)49-35-43(27-32-53(49)65(52)46-18-11-6-12-19-46)44-28-33-54-50(36-44)56-47(20-13-21-55(56)66-54)59-63-57(40-14-7-4-8-15-40)62-58(64-59)41-16-9-5-10-17-41/h4-28,31-36,45,51H,29-30,37H2,1-3H3/t45-,51?,61-/m0/s1
InChIKeyLVUXZHMYOYRESB-UYBFCTCRSA-N
MW853.08 g/mol
LogP16.13
Rot. Bonds7

About 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole (PubChem CID 166851948) has the molecular formula C61H48N4O and a molecular weight of 853.08 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole.

Molecular Properties

Compound Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole
PubChem CID166851948
Molecular FormulaC61H48N4O
Molecular Weight853.08 g/mol
Exact Mass852.38
IUPAC Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole
SMILESCC1(C)[C@H]2CCC(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7oc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8c7c6)ccc4n5-c4ccccc4)cc3)[C@]1(C)C2
InChIInChI=1S/C61H48N4O/c1-60(2)45-29-30-51(61(60,3)37-45)39-24-22-38(23-25-39)42-26-31-52-48(34-42)49-35-43(27-32-53(49)65(52)46-18-11-6-12-19-46)44-28-33-54-50(36-44)56-47(20-13-21-55(56)66-54)59-63-57(40-14-7-4-8-15-40)62-58(64-59)41-16-9-5-10-17-41/h4-28,31-36,45,51H,29-30,37H2,1-3H3/t45-,51?,61-/m0/s1
InChIKeyLVUXZHMYOYRESB-UYBFCTCRSA-N
XLogP16.13
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.08
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole with MolForge

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Related Compounds

3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 118507950
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602166
9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144955849
9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 118507900
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-triphenylen-1-ylcarbazole
CID 154602338
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 154602051
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
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

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole?
The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole (CID 166851948) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole.
What is the SMILES notation for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole?
The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole is CC1(C)[C@H]2CCC(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7oc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8c7c6)ccc4n5-c4ccccc4)cc3)[C@]1(C)C2.
What is the InChIKey of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole?
The InChIKey is LVUXZHMYOYRESB-UYBFCTCRSA-N. The full InChI is InChI=1S/C61H48N4O/c1-60(2)45-29-30-51(61(60,3)37-45)39-24-22-38(23-25-39)42-26-31-52-48(34-42)49-35-43(27-32-53(49)65(52)46-18-11-6-12-19-46)44-28-33-54-50(36-44)56-47(20-13-21-55(56)66-54)59-63-57(40-14-7-4-8-15-40)62-58(64-59)41-16-9-5-10-17-41/h4-28,31-36,45,51H,29-30,37H2,1-3H3/t45-,51?,61-/m0/s1.
What are the key properties of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole?
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole has a molecular weight of 853.08 g/mol, XLogP of 16.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-[4-[(1S,5S)-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]phenyl]carbazole is sourced from PubChem (CID 166851948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).