3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole

C76H50N4 — CID 144825807

IUPAC3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c3cc(-c5cccc6c5Cc5c(-c7nc(-c8cccc(-c9ccccc9)c8)nc(-c8cccc(-c9ccccc9)c8)n7)cccc5-6)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C76H50N4/c1-6-20-50(21-7-1)54-28-16-30-58(42-54)74-77-75(59-31-17-29-55(43-59)51-22-8-2-9-23-51)79-76(78-74)67-37-19-36-66-65-35-18-34-64(68(65)49-69(66)67)57-39-41-73-71(48-57)70-47-56(38-40-72(70)80(73)63-32-14-5-15-33-63)62-45-60(52-24-10-3-11-25-52)44-61(46-62)53-26-12-4-13-27-53/h1-48H,49H2
InChIKeySBZDRQIZFVQYLD-UHFFFAOYSA-N
MW1019.26 g/mol
LogP19.54
Rot. Bonds10

About 3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole

3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole (PubChem CID 144825807) has the molecular formula C76H50N4 and a molecular weight of 1019.26 g/mol. Its IUPAC name is 3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole
PubChem CID144825807
Molecular FormulaC76H50N4
Molecular Weight1019.26 g/mol
Exact Mass1018.40
IUPAC Name3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c3cc(-c5cccc6c5Cc5c(-c7nc(-c8cccc(-c9ccccc9)c8)nc(-c8cccc(-c9ccccc9)c8)n7)cccc5-6)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C76H50N4/c1-6-20-50(21-7-1)54-28-16-30-58(42-54)74-77-75(59-31-17-29-55(43-59)51-22-8-2-9-23-51)79-76(78-74)67-37-19-36-66-65-35-18-34-64(68(65)49-69(66)67)57-39-41-73-71(48-57)70-47-56(38-40-72(70)80(73)63-32-14-5-15-33-63)62-45-60(52-24-10-3-11-25-52)44-61(46-62)53-26-12-4-13-27-53/h1-48H,49H2
InChIKeySBZDRQIZFVQYLD-UHFFFAOYSA-N
XLogP19.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.26
LogP ≤ 519.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole
CID 159568923
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
CID 146648749
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(3-phenylcarbazol-9-yl)carbazole
CID 121382492
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-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6,9-triphenylcarbazole
CID 118299164
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
6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole
CID 163684121
3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134237073

Frequently Asked Questions

What is the IUPAC name of 3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole?
The IUPAC name of 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) is 3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole?
The canonical SMILES for 3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c3cc(-c5cccc6c5Cc5c(-c7nc(-c8cccc(-c9ccccc9)c8)nc(-c8cccc(-c9ccccc9)c8)n7)cccc5-6)ccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole?
The InChIKey is SBZDRQIZFVQYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N4/c1-6-20-50(21-7-1)54-28-16-30-58(42-54)74-77-75(59-31-17-29-55(43-59)51-22-8-2-9-23-51)79-76(78-74)67-37-19-36-66-65-35-18-34-64(68(65)49-69(66)67)57-39-41-73-71(48-57)70-47-56(38-40-72(70)80(73)63-32-14-5-15-33-63)62-45-60(52-24-10-3-11-25-52)44-61(46-62)53-26-12-4-13-27-53/h1-48H,49H2.
What are the key properties of 3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole?
3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole has a molecular weight of 1019.26 g/mol, XLogP of 19.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 144825807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).