3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole

C52H34N4 — CID 158375746

IUPAC3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4c(cccc4-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)C5)c3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-34(16-5-1)50-53-51(35-17-6-2-7-18-35)55-52(54-50)40-22-12-19-36(31-40)42-26-13-20-38-32-39-21-14-27-43(49(39)48(38)42)37-29-30-47-45(33-37)44-25-10-11-28-46(44)56(47)41-23-8-3-9-24-41/h1-31,33H,32H2
InChIKeyGVEAMTRLVUMLIC-UHFFFAOYSA-N
MW714.87 g/mol
LogP12.87
Rot. Bonds6

About 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole

3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole (PubChem CID 158375746) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
PubChem CID158375746
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4c(cccc4-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)C5)c3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-34(16-5-1)50-53-51(35-17-6-2-7-18-35)55-52(54-50)40-22-12-19-36(31-40)42-26-13-20-38-32-39-21-14-27-43(49(39)48(38)42)37-29-30-47-45(33-37)44-25-10-11-28-46(44)56(47)41-23-8-3-9-24-41/h1-31,33H,32H2
InChIKeyGVEAMTRLVUMLIC-UHFFFAOYSA-N
XLogP12.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
CID 154618882
3-(9H-fluoren-4-yl)-9-[3-[4-[3-[3-(9H-fluoren-4-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162137186
3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 154618893
3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole
CID 122224307
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole (CID 158375746) is 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4c(cccc4-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)C5)c3)n2)cc1.
What is the InChIKey of 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole?
The InChIKey is GVEAMTRLVUMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-15-34(16-5-1)50-53-51(35-17-6-2-7-18-35)55-52(54-50)40-22-12-19-36(31-40)42-26-13-20-38-32-39-21-14-27-43(49(39)48(38)42)37-29-30-47-45(33-37)44-25-10-11-28-46(44)56(47)41-23-8-3-9-24-41/h1-31,33H,32H2.
What are the key properties of 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole?
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole has a molecular weight of 714.87 g/mol, XLogP of 12.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 158375746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).