5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole

C64H42N4 — CID 129265297

IUPAC5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)n5)c4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C64H42N4/c1-6-20-43(21-7-1)45-37-39-58-55(41-45)60-52(33-19-35-59(60)68(58)51-30-14-5-15-31-51)46-24-18-25-47(40-46)62-65-61(44-22-8-2-9-23-44)66-63(67-62)48-36-38-54-53-32-16-17-34-56(53)64(57(54)42-48,49-26-10-3-11-27-49)50-28-12-4-13-29-50/h1-42H
InChIKeyFVTSAUBAESTYEH-UHFFFAOYSA-N
MW867.07 g/mol
LogP15.67
Rot. Bonds8

About 5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole

5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole (PubChem CID 129265297) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole.

Molecular Properties

Compound Name5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
PubChem CID129265297
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC Name5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)n5)c4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C64H42N4/c1-6-20-43(21-7-1)45-37-39-58-55(41-45)60-52(33-19-35-59(60)68(58)51-30-14-5-15-31-51)46-24-18-25-47(40-46)62-65-61(44-22-8-2-9-23-44)66-63(67-62)48-36-38-54-53-32-16-17-34-56(53)64(57(54)42-48,49-26-10-3-11-27-49)50-28-12-4-13-29-50/h1-42H
InChIKeyFVTSAUBAESTYEH-UHFFFAOYSA-N
XLogP15.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.07
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 138725783
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 118507817
9-[2'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-[7'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2'-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159219781
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 162487538
9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 159443328
5-[3-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265309
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 145327538
3'-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazol-9-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
CID 138725818
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 139303805
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole?
The IUPAC name of 5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole (CID 129265297) is 5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole.
What is the SMILES notation for 5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole?
The canonical SMILES for 5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)n5)c4)cccc2n3-c2ccccc2)cc1.
What is the InChIKey of 5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole?
The InChIKey is FVTSAUBAESTYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-6-20-43(21-7-1)45-37-39-58-55(41-45)60-52(33-19-35-59(60)68(58)51-30-14-5-15-31-51)46-24-18-25-47(40-46)62-65-61(44-22-8-2-9-23-44)66-63(67-62)48-36-38-54-53-32-16-17-34-56(53)64(57(54)42-48,49-26-10-3-11-27-49)50-28-12-4-13-29-50/h1-42H.
What are the key properties of 5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole?
5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole has a molecular weight of 867.07 g/mol, XLogP of 15.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole is sourced from PubChem (CID 129265297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).