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

C69H43N5O — CID 174273466

IUPAC9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4-n4c5cc(-c6ccccc6)ccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)n3)c2)cc1
InChIInChI=1S/C69H43N5O/c1-4-19-44(20-5-1)46-23-16-24-48(41-46)67-70-68(49-38-39-52-51-27-12-15-36-63(51)75-64(52)43-49)72-69(71-67)57-29-11-14-33-59(57)74-61-35-18-31-54(66(61)56-40-37-47(42-62(56)74)45-21-6-2-7-22-45)53-30-17-34-60-65(53)55-28-10-13-32-58(55)73(60)50-25-8-3-9-26-50/h1-43H
InChIKeyXONCFECIKHTYFJ-UHFFFAOYSA-N
MW958.14 g/mol
LogP17.97
Rot. Bonds8

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

9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 174273466) has the molecular formula C69H43N5O and a molecular weight of 958.14 g/mol. Its IUPAC name is 9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
PubChem CID174273466
Molecular FormulaC69H43N5O
Molecular Weight958.14 g/mol
Exact Mass957.35
IUPAC Name9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4-n4c5cc(-c6ccccc6)ccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)n3)c2)cc1
InChIInChI=1S/C69H43N5O/c1-4-19-44(20-5-1)46-23-16-24-48(41-46)67-70-68(49-38-39-52-51-27-12-15-36-63(51)75-64(52)43-49)72-69(71-67)57-29-11-14-33-59(57)74-61-35-18-31-54(66(61)56-40-37-47(42-62(56)74)45-21-6-2-7-22-45)53-30-17-34-60-65(53)55-28-10-13-32-58(55)73(60)50-25-8-3-9-26-50/h1-43H
InChIKeyXONCFECIKHTYFJ-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

5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273348
5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174270378
1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
CID 168807681
4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273198
9-(2-dibenzofuran-3-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438000
4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572654
2-[4-dibenzofuran-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169280137
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
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole
CID 174272291
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
4-[2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 170193088
4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273028

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 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) is 9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4-n4c5cc(-c6ccccc6)ccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)n3)c2)cc1.
What is the InChIKey of 9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is XONCFECIKHTYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N5O/c1-4-19-44(20-5-1)46-23-16-24-48(41-46)67-70-68(49-38-39-52-51-27-12-15-36-63(51)75-64(52)43-49)72-69(71-67)57-29-11-14-33-59(57)74-61-35-18-31-54(66(61)56-40-37-47(42-62(56)74)45-21-6-2-7-22-45)53-30-17-34-60-65(53)55-28-10-13-32-58(55)73(60)50-25-8-3-9-26-50/h1-43H.
What are the key properties of 9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)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 9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 174273466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).