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

C54H36N4O — CID 170080771

IUPAC3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4cc(-c6ccccc6)ccc45)n3)cc21
InChIInChI=1S/C54H36N4O/c1-54(2)45-19-11-9-17-39(45)40-25-22-37(30-46(40)54)53-56-51(34-15-7-4-8-16-34)55-52(57-53)36-23-28-48-44(29-36)41-18-10-12-20-47(41)58(48)38-24-27-43-42-26-21-35(33-13-5-3-6-14-33)31-49(42)59-50(43)32-38/h3-32H,1-2H3
InChIKeyVQSRAZYQHRCGHV-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.84
Rot. Bonds5

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

3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole (PubChem CID 170080771) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole.

Molecular Properties

Compound Name3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole
PubChem CID170080771
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4cc(-c6ccccc6)ccc45)n3)cc21
InChIInChI=1S/C54H36N4O/c1-54(2)45-19-11-9-17-39(45)40-25-22-37(30-46(40)54)53-56-51(34-15-7-4-8-16-34)55-52(57-53)36-23-28-48-44(29-36)41-18-10-12-20-47(41)58(48)38-24-27-43-42-26-21-35(33-13-5-3-6-14-33)31-49(42)59-50(43)32-38/h3-32H,1-2H3
InChIKeyVQSRAZYQHRCGHV-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-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 146337857
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 140907299
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
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
9-[9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]carbazole
CID 165166763
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335804
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole?
The IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole (CID 170080771) is 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole.
What is the SMILES notation for 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole?
The canonical SMILES for 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4cc(-c6ccccc6)ccc45)n3)cc21.
What is the InChIKey of 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole?
The InChIKey is VQSRAZYQHRCGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-54(2)45-19-11-9-17-39(45)40-25-22-37(30-46(40)54)53-56-51(34-15-7-4-8-16-34)55-52(57-53)36-23-28-48-44(29-36)41-18-10-12-20-47(41)58(48)38-24-27-43-42-26-21-35(33-13-5-3-6-14-33)31-49(42)59-50(43)32-38/h3-32H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole?
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-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 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole is sourced from PubChem (CID 170080771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).