(9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine

C65H42N4O2 — CID 167067160

IUPAC(9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine
SMILESC[C@]1(c2ccccc2-c2ccccc2)c2ccccc2N(c2cccc3oc4ccccc4c23)c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc21
InChIInChI=1S/C65H42N4O2/c1-65(50-28-13-11-25-46(50)41-19-5-2-6-20-41)51-29-14-15-30-53(51)69(55-31-18-34-59-61(55)47-26-12-16-32-56(47)70-59)54-37-35-45(40-52(54)65)44-36-38-57-49(39-44)60-48(27-17-33-58(60)71-57)64-67-62(42-21-7-3-8-22-42)66-63(68-64)43-23-9-4-10-24-43/h2-40H,1H3/t65-/m0/s1
InChIKeySTOHSNPSPZWEBB-FZWUFXCXSA-N
MW911.08 g/mol
LogP17.14
Rot. Bonds7

About (9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine

(9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine (PubChem CID 167067160) has the molecular formula C65H42N4O2 and a molecular weight of 911.08 g/mol. Its IUPAC name is (9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine.

Molecular Properties

Compound Name(9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine
PubChem CID167067160
Molecular FormulaC65H42N4O2
Molecular Weight911.08 g/mol
Exact Mass910.33
IUPAC Name(9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine
SMILESC[C@]1(c2ccccc2-c2ccccc2)c2ccccc2N(c2cccc3oc4ccccc4c23)c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc21
InChIInChI=1S/C65H42N4O2/c1-65(50-28-13-11-25-46(50)41-19-5-2-6-20-41)51-29-14-15-30-53(51)69(55-31-18-34-59-61(55)47-26-12-16-32-56(47)70-59)54-37-35-45(40-52(54)65)44-36-38-57-49(39-44)60-48(27-17-33-58(60)71-57)64-67-62(42-21-7-3-8-22-42)66-63(68-64)43-23-9-4-10-24-43/h2-40H,1H3/t65-/m0/s1
InChIKeySTOHSNPSPZWEBB-FZWUFXCXSA-N
XLogP17.14
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.08
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369396
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198755
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2-dibenzofuran-1-yl-4-[8-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166003049
10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 118507775
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
9-dibenzofuran-1-yl-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 139568398
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002722
2-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002414
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481

Frequently Asked Questions

What is the IUPAC name of (9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine?
The IUPAC name of (9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine (CID 167067160) is (9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine.
What is the SMILES notation for (9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine?
The canonical SMILES for (9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine is C[C@]1(c2ccccc2-c2ccccc2)c2ccccc2N(c2cccc3oc4ccccc4c23)c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc21.
What is the InChIKey of (9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine?
The InChIKey is STOHSNPSPZWEBB-FZWUFXCXSA-N. The full InChI is InChI=1S/C65H42N4O2/c1-65(50-28-13-11-25-46(50)41-19-5-2-6-20-41)51-29-14-15-30-53(51)69(55-31-18-34-59-61(55)47-26-12-16-32-56(47)70-59)54-37-35-45(40-52(54)65)44-36-38-57-49(39-44)60-48(27-17-33-58(60)71-57)64-67-62(42-21-7-3-8-22-42)66-63(68-64)43-23-9-4-10-24-43/h2-40H,1H3/t65-/m0/s1.
What are the key properties of (9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine?
(9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine has a molecular weight of 911.08 g/mol, XLogP of 17.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine is sourced from PubChem (CID 167067160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).