12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole]

C64H42N4O2 — CID 170091715

IUPAC12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole]
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c1ccc1c3c(n(-c4cccc(-c5nc(-c6ccc7c8c(oc7c6)CCC=C8)nc(-c6cccc7c6oc6ccccc67)n5)c4)c21)C=CCC3
InChIInChI=1S/C64H42N4O2/c1-7-25-50-40(17-1)41-18-2-8-26-51(41)64(50)52-27-9-3-22-48(52)58-53(64)34-33-46-42-19-4-10-28-54(42)68(59(46)58)39-16-13-15-37(35-39)61-65-62(38-31-32-45-43-20-5-11-29-55(43)69-57(45)36-38)67-63(66-61)49-24-14-23-47-44-21-6-12-30-56(44)70-60(47)49/h1,3,5-10,12-17,20-28,30-36H,2,4,11,18-19,29H2
InChIKeyOUTRPEVUXGUUSO-UHFFFAOYSA-N
MW899.07 g/mol
LogP15.81
Rot. Bonds4

About 12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole]

12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole] (PubChem CID 170091715) has the molecular formula C64H42N4O2 and a molecular weight of 899.07 g/mol. Its IUPAC name is 12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole].

Molecular Properties

Compound Name12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole]
PubChem CID170091715
Molecular FormulaC64H42N4O2
Molecular Weight899.07 g/mol
Exact Mass898.33
IUPAC Name12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole]
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c1ccc1c3c(n(-c4cccc(-c5nc(-c6ccc7c8c(oc7c6)CCC=C8)nc(-c6cccc7c6oc6ccccc67)n5)c4)c21)C=CCC3
InChIInChI=1S/C64H42N4O2/c1-7-25-50-40(17-1)41-18-2-8-26-51(41)64(50)52-27-9-3-22-48(52)58-53(64)34-33-46-42-19-4-10-28-54(42)68(59(46)58)39-16-13-15-37(35-39)61-65-62(38-31-32-45-43-20-5-11-29-55(43)69-57(45)36-38)67-63(66-61)49-24-14-23-47-44-21-6-12-30-56(44)70-60(47)49/h1,3,5-10,12-17,20-28,30-36H,2,4,11,18-19,29H2
InChIKeyOUTRPEVUXGUUSO-UHFFFAOYSA-N
XLogP15.81
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.07
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole] with MolForge

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Related Compounds

3'-bromo-12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,4-dihydrofluorene-9,7'-indeno[1,2-a]carbazole]
CID 118613534
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
12-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014822
12'-[4-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014953
3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 154602219
2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349495
4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407661
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine;methane
CID 160570361
26-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[26-azaheptacyclo[21.2.1.05,25.06,18.07,15.08,13.019,24]hexacosa-1,3,5,7(15),8,10,12,16,18,20,22,24-dodecaene-14,9'-fluorene]
CID 166096453
3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 88573967
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146649073

Frequently Asked Questions

What is the IUPAC name of 12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole]?
The IUPAC name of 12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole] (CID 170091715) is 12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole].
What is the SMILES notation for 12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole]?
The canonical SMILES for 12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole] is C1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c1ccc1c3c(n(-c4cccc(-c5nc(-c6ccc7c8c(oc7c6)CCC=C8)nc(-c6cccc7c6oc6ccccc67)n5)c4)c21)C=CCC3.
What is the InChIKey of 12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole]?
The InChIKey is OUTRPEVUXGUUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4O2/c1-7-25-50-40(17-1)41-18-2-8-26-51(41)64(50)52-27-9-3-22-48(52)58-53(64)34-33-46-42-19-4-10-28-54(42)68(59(46)58)39-16-13-15-37(35-39)61-65-62(38-31-32-45-43-20-5-11-29-55(43)69-57(45)36-38)67-63(66-61)49-24-14-23-47-44-21-6-12-30-56(44)70-60(47)49/h1,3,5-10,12-17,20-28,30-36H,2,4,11,18-19,29H2.
What are the key properties of 12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole]?
12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole] has a molecular weight of 899.07 g/mol, XLogP of 15.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-[3-[4-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[3,4-dihydrofluorene-9,7'-3,4-dihydroindeno[1,2-a]carbazole] is sourced from PubChem (CID 170091715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).