5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

C64H39N5O — CID 166875242

IUPAC5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESC1=C(c2nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)c3)nc(-n3c4ccccc4c4ccccc43)n2)CCc2c1oc1ccccc21
InChIInChI=1S/C64H39N5O/c1-8-25-51-41(18-1)42-19-2-9-26-52(42)64(51)53-27-10-3-20-43(53)49-36-50-46-23-6-11-28-55(46)68(58(50)37-54(49)64)40-17-15-16-38(34-40)61-65-62(39-32-33-48-47-24-7-14-31-59(47)70-60(48)35-39)67-63(66-61)69-56-29-12-4-21-44(56)45-22-5-13-30-57(45)69/h1-31,34-37H,32-33H2
InChIKeyHGNJNXWRPRGYPQ-UHFFFAOYSA-N
MW894.05 g/mol
LogP15.31
Rot. Bonds4

About 5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (PubChem CID 166875242) has the molecular formula C64H39N5O and a molecular weight of 894.05 g/mol. Its IUPAC name is 5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole].

Molecular Properties

Compound Name5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
PubChem CID166875242
Molecular FormulaC64H39N5O
Molecular Weight894.05 g/mol
Exact Mass893.32
IUPAC Name5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESC1=C(c2nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)c3)nc(-n3c4ccccc4c4ccccc43)n2)CCc2c1oc1ccccc21
InChIInChI=1S/C64H39N5O/c1-8-25-51-41(18-1)42-19-2-9-26-52(42)64(51)53-27-10-3-20-43(53)49-36-50-46-23-6-11-28-55(46)68(58(50)37-54(49)64)40-17-15-16-38(34-40)61-65-62(39-32-33-48-47-24-7-14-31-59(47)70-60(48)35-39)67-63(66-61)69-56-29-12-4-21-44(56)45-22-5-13-30-57(45)69/h1-31,34-37H,32-33H2
InChIKeyHGNJNXWRPRGYPQ-UHFFFAOYSA-N
XLogP15.31
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.05
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] with MolForge

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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-[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-(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
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
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-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602337
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854
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
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
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
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 130327359

Frequently Asked Questions

What is the IUPAC name of 5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The IUPAC name of 5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (CID 166875242) is 5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole].
What is the SMILES notation for 5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The canonical SMILES for 5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is C1=C(c2nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)c3)nc(-n3c4ccccc4c4ccccc43)n2)CCc2c1oc1ccccc21.
What is the InChIKey of 5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The InChIKey is HGNJNXWRPRGYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N5O/c1-8-25-51-41(18-1)42-19-2-9-26-52(42)64(51)53-27-10-3-20-43(53)49-36-50-46-23-6-11-28-55(46)68(58(50)37-54(49)64)40-17-15-16-38(34-40)61-65-62(39-32-33-48-47-24-7-14-31-59(47)70-60(48)35-39)67-63(66-61)69-56-29-12-4-21-44(56)45-22-5-13-30-57(45)69/h1-31,34-37H,32-33H2.
What are the key properties of 5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] has a molecular weight of 894.05 g/mol, XLogP of 15.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[3-[4-carbazol-9-yl-6-(1,2-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 166875242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).