12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C70H49N3 — CID 154952367

IUPAC12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4cccc(-n5c6cc(-c7ccccc7)c7ccccc7c6c6c7ccccc7c(-c7ccccc7)cc65)c4nc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C70H49N3/c1-69(2)56-30-17-15-26-48(56)50-36-34-44(38-58(50)69)66-67(45-35-37-51-49-27-16-18-31-57(49)70(3,4)59(51)39-45)72-68-60(71-66)32-19-33-61(68)73-62-40-54(42-20-7-5-8-21-42)46-24-11-13-28-52(46)64(62)65-53-29-14-12-25-47(53)55(41-63(65)73)43-22-9-6-10-23-43/h5-41H,1-4H3
InChIKeyIEWPGKISACOSAR-UHFFFAOYSA-N
MW932.18 g/mol
LogP18.31
Rot. Bonds5

About 12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 154952367) has the molecular formula C70H49N3 and a molecular weight of 932.18 g/mol. Its IUPAC name is 12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID154952367
Molecular FormulaC70H49N3
Molecular Weight932.18 g/mol
Exact Mass931.39
IUPAC Name12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4cccc(-n5c6cc(-c7ccccc7)c7ccccc7c6c6c7ccccc7c(-c7ccccc7)cc65)c4nc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C70H49N3/c1-69(2)56-30-17-15-26-48(56)50-36-34-44(38-58(50)69)66-67(45-35-37-51-49-27-16-18-31-57(49)70(3,4)59(51)39-45)72-68-60(71-66)32-19-33-61(68)73-62-40-54(42-20-7-5-8-21-42)46-24-11-13-28-52(46)64(62)65-53-29-14-12-25-47(53)55(41-63(65)73)43-22-9-6-10-23-43/h5-41H,1-4H3
InChIKeyIEWPGKISACOSAR-UHFFFAOYSA-N
XLogP18.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.18
LogP ≤ 518.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Related Compounds

12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-9-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[5-(2,3-diphenylquinoxalin-5-yl)-2-pyridinyl]-9-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 161476555
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-30-naphthalen-1-yl-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 118603580
2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline
CID 164985271
5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene
CID 158517485
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151610
3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327636
2-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzothiophen-1-yl-3-(4-phenylphenyl)quinoxaline
CID 165060519
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzofuran-1-yl-3-(4-phenylphenyl)quinoxaline
CID 158835789
11,11-dimethyl-5-[3-(2,3,7-triphenylpyrido[3,4-b]pyrazin-5-yl)phenyl]indeno[1,2-b]carbazole
CID 134578883
11,11-dimethyl-5-[4-(4-phenylphenyl)quinolin-2-yl]indeno[1,2-b]carbazole
CID 90076019
5-(11,11-dimethylbenzo[b]fluoren-2-yl)-2,3-diphenylquinoxaline;4-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-(4-naphthalen-2-ylphenyl)quinoline;2-(11,11-dimethylbenzo[b]fluoren-2-yl)-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 160917226
4-(9,9-dimethylfluoren-2-yl)quinazolin-2-amine
CID 146421035

Frequently Asked Questions

What is the IUPAC name of 12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 154952367) is 12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is CC1(C)c2ccccc2-c2ccc(-c3nc4cccc(-n5c6cc(-c7ccccc7)c7ccccc7c6c6c7ccccc7c(-c7ccccc7)cc65)c4nc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is IEWPGKISACOSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N3/c1-69(2)56-30-17-15-26-48(56)50-36-34-44(38-58(50)69)66-67(45-35-37-51-49-27-16-18-31-57(49)70(3,4)59(51)39-45)72-68-60(71-66)32-19-33-61(68)73-62-40-54(42-20-7-5-8-21-42)46-24-11-13-28-52(46)64(62)65-53-29-14-12-25-47(53)55(41-63(65)73)43-22-9-6-10-23-43/h5-41H,1-4H3.
What are the key properties of 12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 932.18 g/mol, XLogP of 18.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-5-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 154952367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).