9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole

C51H34N4O — CID 144782095

IUPAC9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole
SMILESC1=c2c(oc3c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cccc23)=C(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)CC1
InChIInChI=1S/C51H34N4O/c1-4-15-33(16-5-1)36-29-30-45-43(32-36)40-23-10-11-27-44(40)55(45)46-28-14-26-42-41-25-13-24-39(47(41)56-48(42)46)37-21-12-22-38(31-37)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35/h1-12,14-23,25-32H,13,24H2
InChIKeyIZQGXHSKXJMTNX-UHFFFAOYSA-N
MW718.86 g/mol
LogP11.16
Rot. Bonds6

About 9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole

9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole (PubChem CID 144782095) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole
PubChem CID144782095
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole
SMILESC1=c2c(oc3c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cccc23)=C(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)CC1
InChIInChI=1S/C51H34N4O/c1-4-15-33(16-5-1)36-29-30-45-43(32-36)40-23-10-11-27-44(40)55(45)46-28-14-26-42-41-25-13-24-39(47(41)56-48(42)46)37-21-12-22-38(31-37)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35/h1-12,14-23,25-32H,13,24H2
InChIKeyIZQGXHSKXJMTNX-UHFFFAOYSA-N
XLogP11.16
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 511.16
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
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole
CID 146395667
9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 166988116
9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 170106297
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146335703
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
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

Frequently Asked Questions

What is the IUPAC name of 9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole?
The IUPAC name of 9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole (CID 144782095) is 9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole is C1=c2c(oc3c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cccc23)=C(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)CC1.
What is the InChIKey of 9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole?
The InChIKey is IZQGXHSKXJMTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-4-15-33(16-5-1)36-29-30-45-43(32-36)40-23-10-11-27-44(40)55(45)46-28-14-26-42-41-25-13-24-39(47(41)56-48(42)46)37-21-12-22-38(31-37)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35/h1-12,14-23,25-32H,13,24H2.
What are the key properties of 9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole?
9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole has a molecular weight of 718.86 g/mol, XLogP of 11.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole is sourced from PubChem (CID 144782095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).