9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole

C57H37N5 — CID 139303789

IUPAC9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)nc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)n3)c2)cc1
InChIInChI=1S/C57H37N5/c1-3-17-38(18-4-1)42-21-15-22-43(37-42)56-58-55(59-57(60-56)62-53-32-14-10-26-48(53)49-28-16-27-45(54(49)62)39-19-5-2-6-20-39)41-35-33-40(34-36-41)44-23-7-11-29-50(44)61-51-30-12-8-24-46(51)47-25-9-13-31-52(47)61/h1-37H
InChIKeyAIRYLTZMRYTITD-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.40
Rot. Bonds7

About 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole

9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole (PubChem CID 139303789) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
PubChem CID139303789
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)nc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)n3)c2)cc1
InChIInChI=1S/C57H37N5/c1-3-17-38(18-4-1)42-21-15-22-43(37-42)56-58-55(59-57(60-56)62-53-32-14-10-26-48(53)49-28-16-27-45(54(49)62)39-19-5-2-6-20-39)41-35-33-40(34-36-41)44-23-7-11-29-50(44)61-51-30-12-8-24-46(51)47-25-9-13-31-52(47)61/h1-37H
InChIKeyAIRYLTZMRYTITD-UHFFFAOYSA-N
XLogP14.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 175627106
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
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303605
3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729444
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
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
9-[2-[4-[4-carbazol-9-yl-6-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303815
11-[2-(3,5-diphenylphenyl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 175627738
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 167203592

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole?
The IUPAC name of 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole (CID 139303789) is 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole.
What is the SMILES notation for 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole?
The canonical SMILES for 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)nc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)n3)c2)cc1.
What is the InChIKey of 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole?
The InChIKey is AIRYLTZMRYTITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-3-17-38(18-4-1)42-21-15-22-43(37-42)56-58-55(59-57(60-56)62-53-32-14-10-26-48(53)49-28-16-27-45(54(49)62)39-19-5-2-6-20-39)41-35-33-40(34-36-41)44-23-7-11-29-50(44)61-51-30-12-8-24-46(51)47-25-9-13-31-52(47)61/h1-37H.
What are the key properties of 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole?
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole is sourced from PubChem (CID 139303789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).