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

C81H52N6 — CID 139303815

IUPAC9-[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
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cccc(-c5nc(-c6ccc(-c7cc(-c8ccccc8)ccc7-n7c8ccccc8c8ccccc87)cc6)nc(-n6c7ccccc7c7ccccc76)n5)c4)c3)c2)cc1
InChIInChI=1S/C81H52N6/c1-3-21-53(22-4-1)57-25-19-26-58(49-57)60-46-48-78(86-73-37-15-9-31-65(73)66-32-10-16-38-74(66)86)70(52-60)61-27-20-28-62(50-61)80-82-79(83-81(84-80)87-75-39-17-11-33-67(75)68-34-12-18-40-76(68)87)56-43-41-55(42-44-56)69-51-59(54-23-5-2-6-24-54)45-47-77(69)85-71-35-13-7-29-63(71)64-30-8-14-36-72(64)85/h1-52H
InChIKeyUKWNSWYVQYKVJD-UHFFFAOYSA-N
MW1109.35 g/mol
LogP20.83
Rot. Bonds10

About 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

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 (PubChem CID 139303815) 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-[3-[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-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
PubChem CID139303815
Molecular FormulaC81H52N6
Molecular Weight1109.35 g/mol
Exact Mass1108.43
IUPAC Name9-[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
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cccc(-c5nc(-c6ccc(-c7cc(-c8ccccc8)ccc7-n7c8ccccc8c8ccccc87)cc6)nc(-n6c7ccccc7c7ccccc76)n5)c4)c3)c2)cc1
InChIInChI=1S/C81H52N6/c1-3-21-53(22-4-1)57-25-19-26-58(49-57)60-46-48-78(86-73-37-15-9-31-65(73)66-32-10-16-38-74(66)86)70(52-60)61-27-20-28-62(50-61)80-82-79(83-81(84-80)87-75-39-17-11-33-67(75)68-34-12-18-40-76(68)87)56-43-41-55(42-44-56)69-51-59(54-23-5-2-6-24-54)45-47-77(69)85-71-35-13-7-29-63(71)64-30-8-14-36-72(64)85/h1-52H
InChIKeyUKWNSWYVQYKVJD-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-[3-[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-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
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
2-phenyl-9-[2-phenyl-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539049
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-[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-[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-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303270
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cccc(-c5nc(-c6ccc(-c7cc(-c8ccccc8)ccc7-n7c8ccccc8c8ccccc87)cc6)nc(-n6c7ccccc7c7ccccc76)n5)c4)c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is UKWNSWYVQYKVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H52N6/c1-3-21-53(22-4-1)57-25-19-26-58(49-57)60-46-48-78(86-73-37-15-9-31-65(73)66-32-10-16-38-74(66)86)70(52-60)61-27-20-28-62(50-61)80-82-79(83-81(84-80)87-75-39-17-11-33-67(75)68-34-12-18-40-76(68)87)56-43-41-55(42-44-56)69-51-59(54-23-5-2-6-24-54)45-47-77(69)85-71-35-13-7-29-63(71)64-30-8-14-36-72(64)85/h1-52H.
What are the key properties of 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?
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 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-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole is sourced from PubChem (CID 139303815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).