1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole

C54H36N4O — CID 170080056

IUPAC1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6cccc7oc8cc(-c9ccccc9)ccc8c67)c45)n3)cc21
InChIInChI=1S/C54H36N4O/c1-54(2)43-23-11-9-19-37(43)38-29-28-36(31-44(38)54)52-55-51(34-17-7-4-8-18-34)56-53(57-52)42-22-13-21-40-39-20-10-12-24-45(39)58(50(40)42)46-25-14-26-47-49(46)41-30-27-35(32-48(41)59-47)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyFILGYTJSKDAWJR-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.84
Rot. Bonds5

About 1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole

1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole (PubChem CID 170080056) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole.

Molecular Properties

Compound Name1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
PubChem CID170080056
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6cccc7oc8cc(-c9ccccc9)ccc8c67)c45)n3)cc21
InChIInChI=1S/C54H36N4O/c1-54(2)43-23-11-9-19-37(43)38-29-28-36(31-44(38)54)52-55-51(34-17-7-4-8-18-34)56-53(57-52)42-22-13-21-40-39-20-10-12-24-45(39)58(50(40)42)46-25-14-26-47-49(46)41-30-27-35(32-48(41)59-47)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyFILGYTJSKDAWJR-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-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 146337857
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(8-phenyldibenzofuran-4-yl)carbazole
CID 170080363
12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164953799
1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
CID 168807768
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole
CID 170080771
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 142569574
9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 165166711
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 146338085
12-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165638

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole?
The IUPAC name of 1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole (CID 170080056) is 1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole.
What is the SMILES notation for 1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole?
The canonical SMILES for 1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6cccc7oc8cc(-c9ccccc9)ccc8c67)c45)n3)cc21.
What is the InChIKey of 1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole?
The InChIKey is FILGYTJSKDAWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-54(2)43-23-11-9-19-37(43)38-29-28-36(31-44(38)54)52-55-51(34-17-7-4-8-18-34)56-53(57-52)42-22-13-21-40-39-20-10-12-24-45(39)58(50(40)42)46-25-14-26-47-49(46)41-30-27-35(32-48(41)59-47)33-15-5-3-6-16-33/h3-32H,1-2H3.
What are the key properties of 1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole?
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)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 1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole is sourced from PubChem (CID 170080056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).