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

C57H39N5 — CID 170097253

IUPAC9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccc(-n6c7ccccc7c7cccc(-c8ccccc8)c76)cc54)c3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C57H39N5/c1-5-18-38(19-6-1)44-34-32-42(57-59-55(40-22-9-3-10-23-40)58-56(60-57)41-24-11-4-12-25-41)36-52(44)62-51-31-16-13-26-46(51)48-35-33-43(37-53(48)62)61-50-30-15-14-27-47(50)49-29-17-28-45(54(49)61)39-20-7-2-8-21-39/h1-37,57H,(H,58,59,60)
InChIKeySCOIJITYALWLGJ-UHFFFAOYSA-N
MW793.97 g/mol
LogP13.71
Rot. Bonds7

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

9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole (PubChem CID 170097253) has the molecular formula C57H39N5 and a molecular weight of 793.97 g/mol. Its IUPAC name is 9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole
PubChem CID170097253
Molecular FormulaC57H39N5
Molecular Weight793.97 g/mol
Exact Mass793.32
IUPAC Name9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccc(-n6c7ccccc7c7cccc(-c8ccccc8)c76)cc54)c3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C57H39N5/c1-5-18-38(19-6-1)44-34-32-42(57-59-55(40-22-9-3-10-23-40)58-56(60-57)41-24-11-4-12-25-41)36-52(44)62-51-31-16-13-26-46(51)48-35-33-43(37-53(48)62)61-50-30-15-14-27-47(50)49-29-17-28-45(54(49)61)39-20-7-2-8-21-39/h1-37,57H,(H,58,59,60)
InChIKeySCOIJITYALWLGJ-UHFFFAOYSA-N
XLogP13.71
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 513.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664722
12-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 136934194
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
CID 153304562
12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 162363400
11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 162498267
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
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137220453
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700065
7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
CID 172508108

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole?
The IUPAC name of 9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole (CID 170097253) is 9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole.
What is the SMILES notation for 9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole?
The canonical SMILES for 9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole is c1ccc(C2=NC(c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccc(-n6c7ccccc7c7cccc(-c8ccccc8)c76)cc54)c3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole?
The InChIKey is SCOIJITYALWLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N5/c1-5-18-38(19-6-1)44-34-32-42(57-59-55(40-22-9-3-10-23-40)58-56(60-57)41-24-11-4-12-25-41)36-52(44)62-51-31-16-13-26-46(51)48-35-33-43(37-53(48)62)61-50-30-15-14-27-47(50)49-29-17-28-45(54(49)61)39-20-7-2-8-21-39/h1-37,57H,(H,58,59,60).
What are the key properties of 9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole?
9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole has a molecular weight of 793.97 g/mol, XLogP of 13.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole is sourced from PubChem (CID 170097253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).