8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

C94H63GeN3 — CID 140849494

IUPAC8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESC[Ge]12c3c4cccc3N(c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c3cccc(c31)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3)c1cccc(c12)N4c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C94H63GeN3/c1-95-89-83-47-26-49-85(89)97(69-53-56-74-71-41-20-23-44-77(71)93(81(74)60-69,64-33-12-4-13-34-64)65-35-14-5-15-36-65)87-51-28-52-88(91(87)95)98(70-54-57-75-72-42-21-24-45-78(72)94(82(75)61-70,66-37-16-6-17-38-66)67-39-18-7-19-40-67)86-50-27-48-84(90(86)95)96(83)68-55-58-80-76(59-68)73-43-22-25-46-79(73)92(80,62-29-8-2-9-30-62)63-31-10-3-11-32-63/h2-61H,1H3
InChIKeyCEXWGGKRGREDFL-UHFFFAOYSA-N
MW1307.17 g/mol
LogP21.23
Rot. Bonds9

About 8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 140849494) has the molecular formula C94H63GeN3 and a molecular weight of 1307.17 g/mol. Its IUPAC name is 8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
PubChem CID140849494
Molecular FormulaC94H63GeN3
Molecular Weight1307.17 g/mol
Exact Mass1307.42
IUPAC Name8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESC[Ge]12c3c4cccc3N(c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c3cccc(c31)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3)c1cccc(c12)N4c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C94H63GeN3/c1-95-89-83-47-26-49-85(89)97(69-53-56-74-71-41-20-23-44-77(71)93(81(74)60-69,64-33-12-4-13-34-64)65-35-14-5-15-36-65)87-51-28-52-88(91(87)95)98(70-54-57-75-72-42-21-24-45-78(72)94(82(75)61-70,66-37-16-6-17-38-66)67-39-18-7-19-40-67)86-50-27-48-84(90(86)95)96(83)68-55-58-80-76(59-68)73-43-22-25-46-79(73)92(80,62-29-8-2-9-30-62)63-31-10-3-11-32-63/h2-61H,1H3
InChIKeyCEXWGGKRGREDFL-UHFFFAOYSA-N
XLogP21.23
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001307.17
LogP ≤ 521.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene with MolForge

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Related Compounds

9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine
CID 153463086
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
9,9-diphenyl-10-[6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)-9,9'-spirobi[fluorene]-2-yl]acridine
CID 164709122
5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 130417550
N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 138655498
14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213167
2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
CID 142740719
1-methyl-8,14-diphenyl-22-triphenylen-2-yl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 140849325
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336

Frequently Asked Questions

What is the IUPAC name of 8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 140849494) is 8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is C[Ge]12c3c4cccc3N(c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c3cccc(c31)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3)c1cccc(c12)N4c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The InChIKey is CEXWGGKRGREDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H63GeN3/c1-95-89-83-47-26-49-85(89)97(69-53-56-74-71-41-20-23-44-77(71)93(81(74)60-69,64-33-12-4-13-34-64)65-35-14-5-15-36-65)87-51-28-52-88(91(87)95)98(70-54-57-75-72-42-21-24-45-78(72)94(82(75)61-70,66-37-16-6-17-38-66)67-39-18-7-19-40-67)86-50-27-48-84(90(86)95)96(83)68-55-58-80-76(59-68)73-43-22-25-46-79(73)92(80,62-29-8-2-9-30-62)63-31-10-3-11-32-63/h2-61H,1H3.
What are the key properties of 8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 1307.17 g/mol, XLogP of 21.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 140849494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).