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

C54H36N4O — CID 170681002

IUPAC3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)cccc21
InChIInChI=1S/C54H36N4O/c1-54(2)43-23-11-9-20-39(43)49-41(22-13-24-44(49)54)53-56-51(34-28-30-46-42(31-34)38-19-10-12-25-45(38)58(46)36-17-7-4-8-18-36)55-52(57-53)35-27-29-40-48(32-35)59-47-26-14-21-37(50(40)47)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyMVUDWNMIUFNODH-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.84
Rot. Bonds5

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

3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 170681002) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID170681002
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)cccc21
InChIInChI=1S/C54H36N4O/c1-54(2)43-23-11-9-20-39(43)49-41(22-13-24-44(49)54)53-56-51(34-28-30-46-42(31-34)38-19-10-12-25-45(38)58(46)36-17-7-4-8-18-36)55-52(57-53)35-27-29-40-48(32-35)59-47-26-14-21-37(50(40)47)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyMVUDWNMIUFNODH-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

3-[4-(9,9-dimethylfluoren-3-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681246
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-4-yl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681339
2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680942
2-(9,9-dimethylfluoren-4-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681081
9-phenyl-3-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767897
2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680990
9-phenyl-3-[4-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 168767881
2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[3-[9-(3-phenylphenyl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 170681289
4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 170681025
3,9-diphenyl-6-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168768833
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 118508108
2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681114

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 170681002) is 3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)cccc21.
What is the InChIKey of 3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is MVUDWNMIUFNODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-54(2)43-23-11-9-20-39(43)49-41(22-13-24-44(49)54)53-56-51(34-28-30-46-42(31-34)38-19-10-12-25-45(38)58(46)36-17-7-4-8-18-36)55-52(57-53)35-27-29-40-48(32-35)59-47-26-14-21-37(50(40)47)33-15-5-3-6-16-33/h3-32H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole 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-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 170681002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).