10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene

C55H37N3 — CID 159278811

IUPAC10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene
SMILESCC1(C)c2ccccc2-c2c(-c3nc4nc(n3)-c3cccc5c3-c3cc(ccc3C5(c3ccccc3)c3ccccc3)-c3ccccc3-c3cccc-4c3)cccc21
InChIInChI=1S/C55H37N3/c1-54(2)45-27-12-11-24-41(45)49-42(25-14-28-47(49)54)52-56-51-36-17-13-16-34(32-36)39-22-9-10-23-40(39)35-30-31-46-44(33-35)50-43(53(57-51)58-52)26-15-29-48(50)55(46,37-18-5-3-6-19-37)38-20-7-4-8-21-38/h3-33H,1-2H3
InChIKeySJYJUTHBVHNGGQ-UHFFFAOYSA-N
MW739.92 g/mol
LogP13.19
Rot. Bonds3

About 10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene

10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene (PubChem CID 159278811) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene
PubChem CID159278811
Molecular FormulaC55H37N3
Molecular Weight739.92 g/mol
Exact Mass739.30
IUPAC Name10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene
SMILESCC1(C)c2ccccc2-c2c(-c3nc4nc(n3)-c3cccc5c3-c3cc(ccc3C5(c3ccccc3)c3ccccc3)-c3ccccc3-c3cccc-4c3)cccc21
InChIInChI=1S/C55H37N3/c1-54(2)45-27-12-11-24-41(45)49-42(25-14-28-47(49)54)52-56-51-36-17-13-16-34(32-36)39-22-9-10-23-40(39)35-30-31-46-44(33-35)50-43(53(57-51)58-52)26-15-29-48(50)55(46,37-18-5-3-6-19-37)38-20-7-4-8-21-38/h3-33H,1-2H3
InChIKeySJYJUTHBVHNGGQ-UHFFFAOYSA-N
XLogP13.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene with MolForge

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Related Compounds

2-[3-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166565386
2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine
CID 153293179
bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)
CID 158861729
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367888
2-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4-[2-[3-[3-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 167178352
2-[3,5-bis(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162075973
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
2-dibenzothiophen-2-yl-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 165095403
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 168777603
2-(4-chlorophenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167485394
2-[3-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158320128

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene?
The IUPAC name of 10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene (CID 159278811) is 10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene.
What is the SMILES notation for 10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene?
The canonical SMILES for 10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene is CC1(C)c2ccccc2-c2c(-c3nc4nc(n3)-c3cccc5c3-c3cc(ccc3C5(c3ccccc3)c3ccccc3)-c3ccccc3-c3cccc-4c3)cccc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene?
The InChIKey is SJYJUTHBVHNGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-54(2)45-27-12-11-24-41(45)49-42(25-14-28-47(49)54)52-56-51-36-17-13-16-34(32-36)39-22-9-10-23-40(39)35-30-31-46-44(33-35)50-43(53(57-51)58-52)26-15-29-48(50)55(46,37-18-5-3-6-19-37)38-20-7-4-8-21-38/h3-33H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene?
10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene has a molecular weight of 739.92 g/mol, XLogP of 13.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene is sourced from PubChem (CID 159278811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).