5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole

C58H38N4 — CID 162487538

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc43)c2)cc1
InChIInChI=1S/C58H38N4/c1-5-19-39(20-6-1)42-25-17-28-45(37-42)62-52-36-35-44(58(43-26-11-4-12-27-43)50-32-15-13-29-46(50)47-30-14-16-33-51(47)58)38-49(52)54-48(31-18-34-53(54)62)57-60-55(40-21-7-2-8-22-40)59-56(61-57)41-23-9-3-10-24-41/h1-38H
InChIKeyNXWDNJOWILWNRK-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.00
Rot. Bonds7

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole (PubChem CID 162487538) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
PubChem CID162487538
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc43)c2)cc1
InChIInChI=1S/C58H38N4/c1-5-19-39(20-6-1)42-25-17-28-45(37-42)62-52-36-35-44(58(43-26-11-4-12-27-43)50-32-15-13-29-46(50)47-30-14-16-33-51(47)58)38-49(52)54-48(31-18-34-53(54)62)57-60-55(40-21-7-2-8-22-40)59-56(61-57)41-23-9-3-10-24-41/h1-38H
InChIKeyNXWDNJOWILWNRK-UHFFFAOYSA-N
XLogP14.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265297
9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 159443328
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 118507817
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 145327538
5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 138725783
3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 121311539
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole (CID 162487538) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc43)c2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
The InChIKey is NXWDNJOWILWNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-5-19-39(20-6-1)42-25-17-28-45(37-42)62-52-36-35-44(58(43-26-11-4-12-27-43)50-32-15-13-29-46(50)47-30-14-16-33-51(47)58)38-49(52)54-48(31-18-34-53(54)62)57-60-55(40-21-7-2-8-22-40)59-56(61-57)41-23-9-3-10-24-41/h1-38H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole has a molecular weight of 790.97 g/mol, XLogP of 14.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 162487538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).