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

C58H39N5 — CID 121306297

IUPAC3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole
SMILESCc1ccccc1-n1c2ccccc2c2cc(-c3ccc(-n4c5ccccc5c5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cccc54)cc3)ccc21
InChIInChI=1S/C58H39N5/c1-38-16-8-11-26-50(38)63-51-27-12-9-23-47(51)49-37-42(32-35-53(49)63)39-30-33-45(34-31-39)62-52-28-13-10-24-48(52)55-46(25-15-29-54(55)62)43-21-14-22-44(36-43)58-60-56(40-17-4-2-5-18-40)59-57(61-58)41-19-6-3-7-20-41/h2-37H,1H3
InChIKeyCQZIBWUKEONKJR-UHFFFAOYSA-N
MW805.99 g/mol
LogP14.71
Rot. Bonds7

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

3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole (PubChem CID 121306297) has the molecular formula C58H39N5 and a molecular weight of 805.99 g/mol. Its IUPAC name is 3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole
PubChem CID121306297
Molecular FormulaC58H39N5
Molecular Weight805.99 g/mol
Exact Mass805.32
IUPAC Name3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole
SMILESCc1ccccc1-n1c2ccccc2c2cc(-c3ccc(-n4c5ccccc5c5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cccc54)cc3)ccc21
InChIInChI=1S/C58H39N5/c1-38-16-8-11-26-50(38)63-51-27-12-9-23-47(51)49-37-42(32-35-53(49)63)39-30-33-45(34-31-39)62-52-28-13-10-24-48(52)55-46(25-15-29-54(55)62)43-21-14-22-44(36-43)58-60-56(40-17-4-2-5-18-40)59-57(61-58)41-19-6-3-7-20-41/h2-37H,1H3
InChIKeyCQZIBWUKEONKJR-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

4-[9-[2-carbazol-9-yl-3-[4-[3-[4-[3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 146325103
9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 161068654
5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 139303805
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 121401468
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 160899736
5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-carbazol-9-yl-9-phenylcarbazole;5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-phenyl-9-(3-phenylphenyl)carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-phenyl-9-(4-phenylphenyl)carbazole
CID 160866915
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 137470533
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]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 175616585

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole?
The IUPAC name of 3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole (CID 121306297) is 3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole.
What is the SMILES notation for 3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole?
The canonical SMILES for 3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole is Cc1ccccc1-n1c2ccccc2c2cc(-c3ccc(-n4c5ccccc5c5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cccc54)cc3)ccc21.
What is the InChIKey of 3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole?
The InChIKey is CQZIBWUKEONKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N5/c1-38-16-8-11-26-50(38)63-51-27-12-9-23-47(51)49-37-42(32-35-53(49)63)39-30-33-45(34-31-39)62-52-28-13-10-24-48(52)55-46(25-15-29-54(55)62)43-21-14-22-44(36-43)58-60-56(40-17-4-2-5-18-40)59-57(61-58)41-19-6-3-7-20-41/h2-37H,1H3.
What are the key properties of 3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole?
3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)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-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole is sourced from PubChem (CID 121306297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).