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

C57H40N4 — CID 137128475

IUPAC9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(C4N=C(c5ccccc5-c5cccc(-c6ccccc6)c5)N=C(c5cccc(-n6c7ccccc7c7ccccc76)c5)N4)cc3)c2)cc1
InChIInChI=1S/C57H40N4/c1-3-16-39(17-4-1)43-20-13-21-44(36-43)41-32-34-42(35-33-41)55-58-56(47-24-15-25-48(38-47)61-53-30-11-9-27-50(53)51-28-10-12-31-54(51)61)60-57(59-55)52-29-8-7-26-49(52)46-23-14-22-45(37-46)40-18-5-2-6-19-40/h1-38,55H,(H,58,59,60)
InChIKeyQWBXYVJDUOGGTM-UHFFFAOYSA-N
MW780.98 g/mol
LogP13.95
Rot. Bonds8

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

9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole (PubChem CID 137128475) has the molecular formula C57H40N4 and a molecular weight of 780.98 g/mol. Its IUPAC name is 9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
PubChem CID137128475
Molecular FormulaC57H40N4
Molecular Weight780.98 g/mol
Exact Mass780.33
IUPAC Name9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(C4N=C(c5ccccc5-c5cccc(-c6ccccc6)c5)N=C(c5cccc(-n6c7ccccc7c7ccccc76)c5)N4)cc3)c2)cc1
InChIInChI=1S/C57H40N4/c1-3-16-39(17-4-1)43-20-13-21-44(36-43)41-32-34-42(35-33-41)55-58-56(47-24-15-25-48(38-47)61-53-30-11-9-27-50(53)51-28-10-12-31-54(51)61)60-57(59-55)52-29-8-7-26-49(52)46-23-14-22-45(37-46)40-18-5-2-6-19-40/h1-38,55H,(H,58,59,60)
InChIKeyQWBXYVJDUOGGTM-UHFFFAOYSA-N
XLogP13.95
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.98
LogP ≤ 513.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 136598017
12-[3-(4-phenylphenyl)phenyl]-1-[6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 164989882
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137220453
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137123817
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
11-[3-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 144956755
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
9-phenyl-1-[2-phenyl-6-(3-quinolin-7-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 174320552
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole (CID 137128475) is 9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3ccc(C4N=C(c5ccccc5-c5cccc(-c6ccccc6)c5)N=C(c5cccc(-n6c7ccccc7c7ccccc76)c5)N4)cc3)c2)cc1.
What is the InChIKey of 9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole?
The InChIKey is QWBXYVJDUOGGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4/c1-3-16-39(17-4-1)43-20-13-21-44(36-43)41-32-34-42(35-33-41)55-58-56(47-24-15-25-48(38-47)61-53-30-11-9-27-50(53)51-28-10-12-31-54(51)61)60-57(59-55)52-29-8-7-26-49(52)46-23-14-22-45(37-46)40-18-5-2-6-19-40/h1-38,55H,(H,58,59,60).
What are the key properties of 9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole?
9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole has a molecular weight of 780.98 g/mol, XLogP of 13.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole is sourced from PubChem (CID 137128475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).