11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole

C56H36N6 — CID 169037058

IUPAC11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4-c4cccc(-c5ccccc5)n4)n3)c2)cc1
InChIInChI=1S/C56H36N6/c1-4-18-37(19-5-1)40-24-16-25-41(34-40)55-58-54(39-22-8-3-9-23-39)59-56(60-55)62-50-32-14-11-27-43(50)46-35-52-45(36-53(46)62)42-26-10-13-31-49(42)61(52)51-33-15-12-28-44(51)48-30-17-29-47(57-48)38-20-6-2-7-21-38/h1-36H
InChIKeyQGESPEXJTXVORU-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.80
Rot. Bonds7

About 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole

11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole (PubChem CID 169037058) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole
PubChem CID169037058
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4-c4cccc(-c5ccccc5)n4)n3)c2)cc1
InChIInChI=1S/C56H36N6/c1-4-18-37(19-5-1)40-24-16-25-41(34-40)55-58-54(39-22-8-3-9-23-39)59-56(60-55)62-50-32-14-11-27-43(50)46-35-52-45(36-53(46)62)42-26-10-13-31-49(42)61(52)51-33-15-12-28-44(51)48-30-17-29-47(57-48)38-20-6-2-7-21-38/h1-36H
InChIKeyQGESPEXJTXVORU-UHFFFAOYSA-N
XLogP13.80
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.95
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)phenyl]-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
CID 169037372
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[3,2-b]carbazole
CID 169037108
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 169037362
7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-triphenylen-1-ylphenyl)indolo[3,2-b]carbazole
CID 170542496
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
2-phenyl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[2,3-b]indole
CID 176750374
9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 168801597
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
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 138623405
11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 175616505
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413

Frequently Asked Questions

What is the IUPAC name of 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole (CID 169037058) is 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4-c4cccc(-c5ccccc5)n4)n3)c2)cc1.
What is the InChIKey of 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is QGESPEXJTXVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-4-18-37(19-5-1)40-24-16-25-41(34-40)55-58-54(39-22-8-3-9-23-39)59-56(60-55)62-50-32-14-11-27-43(50)46-35-52-45(36-53(46)62)42-26-10-13-31-49(42)61(52)51-33-15-12-28-44(51)48-30-17-29-47(57-48)38-20-6-2-7-21-38/h1-36H.
What are the key properties of 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole?
11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 792.95 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 169037058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).