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

C69H43N5O — CID 168807728

IUPAC1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cccc6c5c5ccccc5n6-c5cccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)n4)cc3)c2)cc1
InChIInChI=1S/C69H43N5O/c1-3-17-44(18-4-1)48-21-13-22-49(41-48)46-35-37-47(38-36-46)67-70-68(51-39-40-55-54-26-9-12-34-63(54)75-64(55)43-51)72-69(71-67)58-29-16-32-61-65(58)57-27-8-11-31-60(57)74(61)62-33-15-28-56-53-25-7-10-30-59(53)73(66(56)62)52-24-14-23-50(42-52)45-19-5-2-6-20-45/h1-43H
InChIKeyKQPKQDDRKCILFS-UHFFFAOYSA-N
MW958.14 g/mol
LogP17.97
Rot. Bonds8

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

1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 168807728) has the molecular formula C69H43N5O and a molecular weight of 958.14 g/mol. Its IUPAC name is 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
PubChem CID168807728
Molecular FormulaC69H43N5O
Molecular Weight958.14 g/mol
Exact Mass957.35
IUPAC Name1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cccc6c5c5ccccc5n6-c5cccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)n4)cc3)c2)cc1
InChIInChI=1S/C69H43N5O/c1-3-17-44(18-4-1)48-21-13-22-49(41-48)46-35-37-47(38-36-46)67-70-68(51-39-40-55-54-26-9-12-34-63(54)75-64(55)43-51)72-69(71-67)58-29-16-32-61-65(58)57-27-8-11-31-60(57)74(61)62-33-15-28-56-53-25-7-10-30-59(53)73(66(56)62)52-24-14-23-50(42-52)45-19-5-2-6-20-45/h1-43H
InChIKeyKQPKQDDRKCILFS-UHFFFAOYSA-N
XLogP17.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.14
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
CID 168807681
9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 165093740
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 135166141
4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158201039
9-(2-dibenzofuran-3-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438000
9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174273466
1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole;1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163485855
12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 165012707
12-[3-(4-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163547856
1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807821
1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142569274
7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163626734

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole (CID 168807728) is 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cccc6c5c5ccccc5n6-c5cccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)n4)cc3)c2)cc1.
What is the InChIKey of 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is KQPKQDDRKCILFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N5O/c1-3-17-44(18-4-1)48-21-13-22-49(41-48)46-35-37-47(38-36-46)67-70-68(51-39-40-55-54-26-9-12-34-63(54)75-64(55)43-51)72-69(71-67)58-29-16-32-61-65(58)57-27-8-11-31-60(57)74(61)62-33-15-28-56-53-25-7-10-30-59(53)73(66(56)62)52-24-14-23-50(42-52)45-19-5-2-6-20-45/h1-43H.
What are the key properties of 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 958.14 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 168807728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).