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]

C56H38N4O — CID 169014969

IUPAC5'-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C5(CCCC5)c5ccccc5-7)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C56H38N4O/c1-2-13-35(14-3-1)36-23-25-37(26-24-36)53-57-54(59-55(58-53)39-27-28-44-43-19-6-9-22-51(43)61-52(44)32-39)38-15-12-16-40(31-38)60-49-21-8-5-18-42(49)46-33-45-41-17-4-7-20-47(41)56(29-10-11-30-56)48(45)34-50(46)60/h1-9,12-28,31-34H,10-11,29-30H2
InChIKeyXVDABLCSQLORKX-UHFFFAOYSA-N
MW782.95 g/mol
LogP14.38
Rot. Bonds5

About 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]

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] (PubChem CID 169014969) has the molecular formula C56H38N4O and a molecular weight of 782.95 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name5'-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]
PubChem CID169014969
Molecular FormulaC56H38N4O
Molecular Weight782.95 g/mol
Exact Mass782.30
IUPAC Name5'-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C5(CCCC5)c5ccccc5-7)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C56H38N4O/c1-2-13-35(14-3-1)36-23-25-37(26-24-36)53-57-54(59-55(58-53)39-27-28-44-43-19-6-9-22-51(43)61-52(44)32-39)38-15-12-16-40(31-38)60-49-21-8-5-18-42(49)46-33-45-41-17-4-7-20-47(41)56(29-10-11-30-56)48(45)34-50(46)60/h1-9,12-28,31-34H,10-11,29-30H2
InChIKeyXVDABLCSQLORKX-UHFFFAOYSA-N
XLogP14.38
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.95
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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] with MolForge

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Related Compounds

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
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
5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 149154937
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
3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947376
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
9-[3-[4-dibenzofuran-3-yl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 149015024
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 158509245
5'-dibenzofuran-3-yl-9'-[9-(4-phenylphenyl)carbazol-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 153035904

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]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C5(CCCC5)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]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]?
The InChIKey is XVDABLCSQLORKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4O/c1-2-13-35(14-3-1)36-23-25-37(26-24-36)53-57-54(59-55(58-53)39-27-28-44-43-19-6-9-22-51(43)61-52(44)32-39)38-15-12-16-40(31-38)60-49-21-8-5-18-42(49)46-33-45-41-17-4-7-20-47(41)56(29-10-11-30-56)48(45)34-50(46)60/h1-9,12-28,31-34H,10-11,29-30H2.
What are the key properties of 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]?
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] has a molecular weight of 782.95 g/mol, XLogP of 14.38, 5 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]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 169014969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).