4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one

C52H32N4O — CID 118020092

IUPAC4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one
SMILESO=C1c2cccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)c2-c2c1cccc2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C52H32N4O/c57-49-40-24-13-23-39(37-28-30-46-44(32-37)43-31-36(33-15-5-1-6-16-33)27-29-45(43)56(46)38-21-11-4-12-22-38)47(40)48-41(49)25-14-26-42(48)52-54-50(34-17-7-2-8-18-34)53-51(55-52)35-19-9-3-10-20-35/h1-32H
InChIKeyFKQHIQRAAJDSIC-UHFFFAOYSA-N
MW728.86 g/mol
LogP12.52
Rot. Bonds6

About 4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one

4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one (PubChem CID 118020092) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one.

Molecular Properties

Compound Name4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one
PubChem CID118020092
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one
SMILESO=C1c2cccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)c2-c2c1cccc2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C52H32N4O/c57-49-40-24-13-23-39(37-28-30-46-44(32-37)43-31-36(33-15-5-1-6-16-33)27-29-45(43)56(46)38-21-11-4-12-22-38)47(40)48-41(49)25-14-26-42(48)52-54-50(34-17-7-2-8-18-34)53-51(55-52)35-19-9-3-10-20-35/h1-32H
InChIKeyFKQHIQRAAJDSIC-UHFFFAOYSA-N
XLogP12.52
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
CID 146648749
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 162500533
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
3-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-9-phenylcarbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-9-phenylcarbazole
CID 161044793
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90308422
3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole
CID 144825807
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole
CID 177079103
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]-9-phenylcarbazole
CID 177079188

Frequently Asked Questions

What is the IUPAC name of 4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one?
The IUPAC name of 4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one (CID 118020092) is 4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one.
What is the SMILES notation for 4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one?
The canonical SMILES for 4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one is O=C1c2cccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)c2-c2c1cccc2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one?
The InChIKey is FKQHIQRAAJDSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c57-49-40-24-13-23-39(37-28-30-46-44(32-37)43-31-36(33-15-5-1-6-16-33)27-29-45(43)56(46)38-21-11-4-12-22-38)47(40)48-41(49)25-14-26-42(48)52-54-50(34-17-7-2-8-18-34)53-51(55-52)35-19-9-3-10-20-35/h1-32H.
What are the key properties of 4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one?
4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one has a molecular weight of 728.86 g/mol, XLogP of 12.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,9-diphenylcarbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-one is sourced from PubChem (CID 118020092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).