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

C61H39N5 — CID 155450391

IUPAC5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3ccccc3-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C61H39N5/c1-4-20-40(21-5-1)45-28-12-13-29-46(45)51-39-58(65-54-33-17-16-32-49(54)52-36-43-26-10-11-27-44(43)37-57(52)65)50(41-22-6-2-7-23-41)38-53(51)60-62-59(42-24-8-3-9-25-42)63-61(64-60)66-55-34-18-14-30-47(55)48-31-15-19-35-56(48)66/h1-39H
InChIKeyKTKYKKFHKJVKLG-UHFFFAOYSA-N
MW842.02 g/mol
LogP15.55
Rot. Bonds7

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

5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole (PubChem CID 155450391) has the molecular formula C61H39N5 and a molecular weight of 842.02 g/mol. Its IUPAC name is 5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole
PubChem CID155450391
Molecular FormulaC61H39N5
Molecular Weight842.02 g/mol
Exact Mass841.32
IUPAC Name5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3ccccc3-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C61H39N5/c1-4-20-40(21-5-1)45-28-12-13-29-46(45)51-39-58(65-54-33-17-16-32-49(54)52-36-43-26-10-11-27-44(43)37-57(52)65)50(41-22-6-2-7-23-41)38-53(51)60-62-59(42-24-8-3-9-25-42)63-61(64-60)66-55-34-18-14-30-47(55)48-31-15-19-35-56(48)66/h1-39H
InChIKeyKTKYKKFHKJVKLG-UHFFFAOYSA-N
XLogP15.55
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.02
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903092
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450575
9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 152880708
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 70836926
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole
CID 155450400
5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole
CID 163654764
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole
CID 142377778
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947
9-[5-carbazol-9-yl-2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 135131262
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155449848

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole (CID 155450391) is 5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3ccccc3-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole?
The InChIKey is KTKYKKFHKJVKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N5/c1-4-20-40(21-5-1)45-28-12-13-29-46(45)51-39-58(65-54-33-17-16-32-49(54)52-36-43-26-10-11-27-44(43)37-57(52)65)50(41-22-6-2-7-23-41)38-53(51)60-62-59(42-24-8-3-9-25-42)63-61(64-60)66-55-34-18-14-30-47(55)48-31-15-19-35-56(48)66/h1-39H.
What are the key properties of 5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole?
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole has a molecular weight of 842.02 g/mol, XLogP of 15.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 155450391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).