2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine

C79H55N3 — CID 126546621

IUPAC2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine
SMILESC1=CC2=CC(C=C1)C(c1ccccc1)(c1ccccc1)c1cc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)C4C=CC=CC54)n3)ccc12
InChIInChI=1S/C79H55N3/c1-7-26-57(27-8-1)77(58-28-9-2-10-29-58)63-38-20-19-25-53(49-63)64-46-43-54(50-71(64)77)74-80-75(55-44-47-67-65-39-21-23-41-69(65)78(72(67)51-55,59-30-11-3-12-31-59)60-32-13-4-14-33-60)82-76(81-74)56-45-48-68-66-40-22-24-42-70(66)79(73(68)52-56,61-34-15-5-16-35-61)62-36-17-6-18-37-62/h1-52,63,65,69H
InChIKeyWBSJRLYRDDZALP-UHFFFAOYSA-N
MW1046.33 g/mol
LogP17.88
Rot. Bonds9

About 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine

2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine (PubChem CID 126546621) has the molecular formula C79H55N3 and a molecular weight of 1046.33 g/mol. Its IUPAC name is 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine
PubChem CID126546621
Molecular FormulaC79H55N3
Molecular Weight1046.33 g/mol
Exact Mass1045.44
IUPAC Name2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine
SMILESC1=CC2=CC(C=C1)C(c1ccccc1)(c1ccccc1)c1cc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)C4C=CC=CC54)n3)ccc12
InChIInChI=1S/C79H55N3/c1-7-26-57(27-8-1)77(58-28-9-2-10-29-58)63-38-20-19-25-53(49-63)64-46-43-54(50-71(64)77)74-80-75(55-44-47-67-65-39-21-23-41-69(65)78(72(67)51-55,59-30-11-3-12-31-59)60-32-13-4-14-33-60)82-76(81-74)56-45-48-68-66-40-22-24-42-70(66)79(73(68)52-56,61-34-15-5-16-35-61)62-36-17-6-18-37-62/h1-52,63,65,69H
InChIKeyWBSJRLYRDDZALP-UHFFFAOYSA-N
XLogP17.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001046.33
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine
CID 123333479
2,4-diphenyl-6-(7-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 166953099
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2,4-diphenyl-6-[3-(4-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 167644198
2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 130180840
2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151481
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 165150755
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161211377
2-[11-[6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151695
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine (CID 126546621) is 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine is C1=CC2=CC(C=C1)C(c1ccccc1)(c1ccccc1)c1cc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)C4C=CC=CC54)n3)ccc12.
What is the InChIKey of 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine?
The InChIKey is WBSJRLYRDDZALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H55N3/c1-7-26-57(27-8-1)77(58-28-9-2-10-29-58)63-38-20-19-25-53(49-63)64-46-43-54(50-71(64)77)74-80-75(55-44-47-67-65-39-21-23-41-69(65)78(72(67)51-55,59-30-11-3-12-31-59)60-32-13-4-14-33-60)82-76(81-74)56-45-48-68-66-40-22-24-42-70(66)79(73(68)52-56,61-34-15-5-16-35-61)62-36-17-6-18-37-62/h1-52,63,65,69H.
What are the key properties of 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine?
2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine has a molecular weight of 1046.33 g/mol, XLogP of 17.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine is sourced from PubChem (CID 126546621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).