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

C58H39N5 — CID 176640493

IUPAC3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
SMILESCc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)c1
InChIInChI=1S/C58H39N5/c1-38-15-14-20-43(33-38)57-59-56(42-29-27-41(28-30-42)39-16-4-2-5-17-39)60-58(61-57)45-34-44(40-18-6-3-7-19-40)35-47(36-45)63-54-26-13-10-23-50(54)51-37-46(31-32-55(51)63)62-52-24-11-8-21-48(52)49-22-9-12-25-53(49)62/h2-37H,1H3
InChIKeyTXNCYVFMNMEIGV-UHFFFAOYSA-N
MW805.99 g/mol
LogP14.71
Rot. Bonds7

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

3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (PubChem CID 176640493) has the molecular formula C58H39N5 and a molecular weight of 805.99 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
PubChem CID176640493
Molecular FormulaC58H39N5
Molecular Weight805.99 g/mol
Exact Mass805.32
IUPAC Name3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
SMILESCc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)c1
InChIInChI=1S/C58H39N5/c1-38-15-14-20-43(33-38)57-59-56(42-29-27-41(28-30-42)39-16-4-2-5-17-39)60-58(61-57)45-34-44(40-18-6-3-7-19-40)35-47(36-45)63-54-26-13-10-23-50(54)51-37-46(31-32-55(51)63)62-52-24-11-8-21-48(52)49-22-9-12-25-53(49)62/h2-37H,1H3
InChIKeyTXNCYVFMNMEIGV-UHFFFAOYSA-N
XLogP14.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.99
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 162500647
3-carbazol-9-yl-9-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146828085
3-carbazol-9-yl-9-[4-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 126730445
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158365808
3,6-di(carbazol-9-yl)-9-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 126730061
3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
CID 150934071
3-carbazol-9-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170132851
9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
CID 139303922
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
9-[3-[4-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139356717

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (CID 176640493) is 3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is Cc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The InChIKey is TXNCYVFMNMEIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N5/c1-38-15-14-20-43(33-38)57-59-56(42-29-27-41(28-30-42)39-16-4-2-5-17-39)60-58(61-57)45-34-44(40-18-6-3-7-19-40)35-47(36-45)63-54-26-13-10-23-50(54)51-37-46(31-32-55(51)63)62-52-24-11-8-21-48(52)49-22-9-12-25-53(49)62/h2-37H,1H3.
What are the key properties of 3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole has a molecular weight of 805.99 g/mol, XLogP of 14.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-[4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is sourced from PubChem (CID 176640493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).