9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole

C81H52N6 — CID 139303352

IUPAC9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc(-c5nc(-c6ccc(-c7cc(-c8ccccc8)ccc7-n7c8ccccc8c8ccccc87)cc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)c2)cc1
InChIInChI=1S/C81H52N6/c1-3-20-53(21-4-1)59-24-19-25-60(50-59)62-47-49-78(86-73-34-15-9-28-65(73)66-29-10-16-35-74(66)86)70(52-62)56-40-44-58(45-41-56)80-82-79(83-81(84-80)87-75-36-17-11-30-67(75)68-31-12-18-37-76(68)87)57-42-38-55(39-43-57)69-51-61(54-22-5-2-6-23-54)46-48-77(69)85-71-32-13-7-26-63(71)64-27-8-14-33-72(64)85/h1-52H
InChIKeyHKHIYAFVFUIHTH-UHFFFAOYSA-N
MW1109.35 g/mol
LogP20.83
Rot. Bonds10

About 9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole

9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole (PubChem CID 139303352) has the molecular formula C81H52N6 and a molecular weight of 1109.35 g/mol. Its IUPAC name is 9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
PubChem CID139303352
Molecular FormulaC81H52N6
Molecular Weight1109.35 g/mol
Exact Mass1108.43
IUPAC Name9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc(-c5nc(-c6ccc(-c7cc(-c8ccccc8)ccc7-n7c8ccccc8c8ccccc87)cc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)c2)cc1
InChIInChI=1S/C81H52N6/c1-3-20-53(21-4-1)59-24-19-25-60(50-59)62-47-49-78(86-73-34-15-9-28-65(73)66-29-10-16-35-74(66)86)70(52-62)56-40-44-58(45-41-56)80-82-79(83-81(84-80)87-75-36-17-11-30-67(75)68-31-12-18-37-76(68)87)57-42-38-55(39-43-57)69-51-61(54-22-5-2-6-23-54)46-48-77(69)85-71-32-13-7-26-63(71)64-27-8-14-33-72(64)85/h1-52H
InChIKeyHKHIYAFVFUIHTH-UHFFFAOYSA-N
XLogP20.83
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.35
LogP ≤ 520.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole with MolForge

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Related Compounds

9-[2-[4-[4-carbazol-9-yl-6-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303815
2-phenyl-9-[2-phenyl-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539049
9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303447
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
11-[2-phenyl-4-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167154429
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303605
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole?
The IUPAC name of 9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole (CID 139303352) is 9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole.
What is the SMILES notation for 9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole?
The canonical SMILES for 9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc(-c5nc(-c6ccc(-c7cc(-c8ccccc8)ccc7-n7c8ccccc8c8ccccc87)cc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)c2)cc1.
What is the InChIKey of 9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole?
The InChIKey is HKHIYAFVFUIHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H52N6/c1-3-20-53(21-4-1)59-24-19-25-60(50-59)62-47-49-78(86-73-34-15-9-28-65(73)66-29-10-16-35-74(66)86)70(52-62)56-40-44-58(45-41-56)80-82-79(83-81(84-80)87-75-36-17-11-30-67(75)68-31-12-18-37-76(68)87)57-42-38-55(39-43-57)69-51-61(54-22-5-2-6-23-54)46-48-77(69)85-71-32-13-7-26-63(71)64-27-8-14-33-72(64)85/h1-52H.
What are the key properties of 9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole?
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole has a molecular weight of 1109.35 g/mol, XLogP of 20.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole is sourced from PubChem (CID 139303352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).