5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole

C64H40N4O — CID 169014518

IUPAC5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C64H40N4O/c1-4-17-41(18-5-1)42-31-33-43(34-32-42)61-65-62(67-63(66-61)45-35-36-52-51-27-12-15-30-59(51)69-60(52)38-45)44-19-16-24-48(37-44)68-57-29-14-11-26-50(57)54-39-53-49-25-10-13-28-55(49)64(56(53)40-58(54)68,46-20-6-2-7-21-46)47-22-8-3-9-23-47/h1-40H
InChIKeyAEMZUGMFHIPKNX-UHFFFAOYSA-N
MW881.05 g/mol
LogP15.90
Rot. Bonds7

About 5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole

5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole (PubChem CID 169014518) has the molecular formula C64H40N4O and a molecular weight of 881.05 g/mol. Its IUPAC name is 5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
PubChem CID169014518
Molecular FormulaC64H40N4O
Molecular Weight881.05 g/mol
Exact Mass880.32
IUPAC Name5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C64H40N4O/c1-4-17-41(18-5-1)42-31-33-43(34-32-42)61-65-62(67-63(66-61)45-35-36-52-51-27-12-15-30-59(51)69-60(52)38-45)44-19-16-24-48(37-44)68-57-29-14-11-26-50(57)54-39-53-49-25-10-13-28-55(49)64(56(53)40-58(54)68,46-20-6-2-7-21-46)47-22-8-3-9-23-47/h1-40H
InChIKeyAEMZUGMFHIPKNX-UHFFFAOYSA-N
XLogP15.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.05
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 169014242
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
5'-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]
CID 169014969
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 159431867
5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
CID 130327275
5'-[3-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]
CID 169014161
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121425002
3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171437863
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171438053
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
9-[3-[4-dibenzofuran-3-yl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 149015024

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole?
The IUPAC name of 5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole (CID 169014518) is 5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole?
The InChIKey is AEMZUGMFHIPKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4O/c1-4-17-41(18-5-1)42-31-33-43(34-32-42)61-65-62(67-63(66-61)45-35-36-52-51-27-12-15-30-59(51)69-60(52)38-45)44-19-16-24-48(37-44)68-57-29-14-11-26-50(57)54-39-53-49-25-10-13-28-55(49)64(56(53)40-58(54)68,46-20-6-2-7-21-46)47-22-8-3-9-23-47/h1-40H.
What are the key properties of 5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole?
5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole has a molecular weight of 881.05 g/mol, XLogP of 15.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole is sourced from PubChem (CID 169014518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).