7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole

C54H36N4O — CID 146519894

IUPAC7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c45)c3cc21
InChIInChI=1S/C54H36N4O/c1-54(2)43-26-11-9-22-37(43)41-31-42-38-23-10-12-27-45(38)58(47(42)32-44(41)54)46-28-14-24-39-49-40(25-15-29-48(49)59-50(39)46)53-56-51(34-18-7-4-8-19-34)55-52(57-53)36-21-13-20-35(30-36)33-16-5-3-6-17-33/h3-32H,1-2H3
InChIKeyYNTXGPIYSBUKQW-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.84
Rot. Bonds5

About 7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole (PubChem CID 146519894) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
PubChem CID146519894
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c45)c3cc21
InChIInChI=1S/C54H36N4O/c1-54(2)43-26-11-9-22-37(43)41-31-42-38-23-10-12-27-45(38)58(47(42)32-44(41)54)46-28-14-24-39-49-40(25-15-29-48(49)59-50(39)46)53-56-51(34-18-7-4-8-19-34)55-52(57-53)36-21-13-20-35(30-36)33-16-5-3-6-17-33/h3-32H,1-2H3
InChIKeyYNTXGPIYSBUKQW-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165076311
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 161474330
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057
7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146337596
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146334221
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158443059
7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 170277611
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327260
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole (CID 146519894) is 7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c45)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The InChIKey is YNTXGPIYSBUKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-54(2)43-26-11-9-22-37(43)41-31-42-38-23-10-12-27-45(38)58(47(42)32-44(41)54)46-28-14-24-39-49-40(25-15-29-48(49)59-50(39)46)53-56-51(34-18-7-4-8-19-34)55-52(57-53)36-21-13-20-35(30-36)33-16-5-3-6-17-33/h3-32H,1-2H3.
What are the key properties of 7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole has a molecular weight of 756.91 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 146519894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).