2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine

C62H43N3 — CID 123470355

IUPAC2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc2-c2ccccc2C1Cc1ccccc1
InChIInChI=1S/C62H43N3/c1-39-46-32-29-43(36-54(46)48-24-12-11-23-47(48)53(39)35-40-17-5-2-6-18-40)44-30-33-51-49-25-13-15-27-55(49)62(57(51)37-44)56-28-16-14-26-50(56)52-34-31-45(38-58(52)62)61-64-59(41-19-7-3-8-20-41)63-60(65-61)42-21-9-4-10-22-42/h2-34,36-39,53H,35H2,1H3
InChIKeyFJUQLISGVYJOIF-UHFFFAOYSA-N
MW830.05 g/mol
LogP14.99
Rot. Bonds6

About 2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine

2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 123470355) has the molecular formula C62H43N3 and a molecular weight of 830.05 g/mol. Its IUPAC name is 2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID123470355
Molecular FormulaC62H43N3
Molecular Weight830.05 g/mol
Exact Mass829.35
IUPAC Name2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc2-c2ccccc2C1Cc1ccccc1
InChIInChI=1S/C62H43N3/c1-39-46-32-29-43(36-54(46)48-24-12-11-23-47(48)53(39)35-40-17-5-2-6-18-40)44-30-33-51-49-25-13-15-27-55(49)62(57(51)37-44)56-28-16-14-26-50(56)52-34-31-45(38-58(52)62)61-64-59(41-19-7-3-8-20-41)63-60(65-61)42-21-9-4-10-22-42/h2-34,36-39,53H,35H2,1H3
InChIKeyFJUQLISGVYJOIF-UHFFFAOYSA-N
XLogP14.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.05
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[11-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-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]-1,3,5-triazine
CID 165150876
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-phenyl-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]-2-yl-1,3,5-triazine
CID 146778446

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine (CID 123470355) is 2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine is CC1c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc2-c2ccccc2C1Cc1ccccc1.
What is the InChIKey of 2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FJUQLISGVYJOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N3/c1-39-46-32-29-43(36-54(46)48-24-12-11-23-47(48)53(39)35-40-17-5-2-6-18-40)44-30-33-51-49-25-13-15-27-55(49)62(57(51)37-44)56-28-16-14-26-50(56)52-34-31-45(38-58(52)62)61-64-59(41-19-7-3-8-20-41)63-60(65-61)42-21-9-4-10-22-42/h2-34,36-39,53H,35H2,1H3.
What are the key properties of 2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine?
2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 830.05 g/mol, XLogP of 14.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 123470355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).