2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline

C164H129N3Si2 — CID 157306570

IUPAC2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
SMILESCN1c2ccccc2CCc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.CN1c2ccccc2[Si](C)(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.CN1c2ccccc2[Si]2(CCCC2)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21
InChIInChI=1S/C56H45NSi.C54H43NSi.C54H41N/c1-56(2)48-22-9-8-18-42(48)46-34-38(26-29-49(46)56)55-44-20-7-6-19-43(44)54(45-28-25-37(33-47(45)55)41-21-14-16-36-15-4-5-17-40(36)41)39-27-30-53-51(35-39)57(3)50-23-10-11-24-52(50)58(53)31-12-13-32-58;1-54(2)46-22-11-10-18-40(46)44-32-36(26-29-47(44)54)53-42-20-9-8-19-41(42)52(37-27-30-51-49(33-37)55(3)48-23-12-13-24-50(48)56(51,4)5)43-28-25-35(31-45(43)53)39-21-14-16-34-15-6-7-17-38(34)39;1-54(2)48-21-10-9-17-42(48)46-32-38(28-30-49(46)54)53-44-19-8-7-18-43(44)52(39-26-25-36-24-23-35-14-5-11-22-50(35)55(3)51(36)33-39)45-29-27-37(31-47(45)53)41-20-12-15-34-13-4-6-16-40(34)41/h4-11,14-30,33-35H,12-13,31-32H2,1-3H3;6-33H,1-5H3;4-22,25-33H,23-24H2,1-3H3
InChIKeyBCNTVPSGFYWKHO-UHFFFAOYSA-N
MW2198.03 g/mol
LogP41.57
Rot. Bonds9

About 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline

2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline (PubChem CID 157306570) has the molecular formula C164H129N3Si2 and a molecular weight of 2198.03 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
PubChem CID157306570
Molecular FormulaC164H129N3Si2
Molecular Weight2198.03 g/mol
Exact Mass2195.97
IUPAC Name2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
SMILESCN1c2ccccc2CCc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.CN1c2ccccc2[Si](C)(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.CN1c2ccccc2[Si]2(CCCC2)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21
InChIInChI=1S/C56H45NSi.C54H43NSi.C54H41N/c1-56(2)48-22-9-8-18-42(48)46-34-38(26-29-49(46)56)55-44-20-7-6-19-43(44)54(45-28-25-37(33-47(45)55)41-21-14-16-36-15-4-5-17-40(36)41)39-27-30-53-51(35-39)57(3)50-23-10-11-24-52(50)58(53)31-12-13-32-58;1-54(2)46-22-11-10-18-40(46)44-32-36(26-29-47(44)54)53-42-20-9-8-19-41(42)52(37-27-30-51-49(33-37)55(3)48-23-12-13-24-50(48)56(51,4)5)43-28-25-35(31-45(43)53)39-21-14-16-34-15-6-7-17-38(34)39;1-54(2)48-21-10-9-17-42(48)46-32-38(28-30-49(46)54)53-44-19-8-7-18-43(44)52(39-26-25-36-24-23-35-14-5-11-22-50(35)55(3)51(36)33-39)45-29-27-37(31-47(45)53)41-20-12-15-34-13-4-6-16-40(34)41/h4-11,14-30,33-35H,12-13,31-32H2,1-3H3;6-33H,1-5H3;4-22,25-33H,23-24H2,1-3H3
InChIKeyBCNTVPSGFYWKHO-UHFFFAOYSA-N
XLogP41.57
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002198.03
LogP ≤ 541.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline with MolForge

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Related Compounds

10-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-9H-acridine;5-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenazine
CID 159465315
3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 59194817
2-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]-11-methylbenzo[b][1]benzazepine;2-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 158878022
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine
CID 59196377
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194690
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 59194861
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine
CID 59196517
3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine
CID 59195073
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59195711
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-1-phenylbenzimidazole
CID 159414502
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenothiazine
CID 59196364
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline (CID 157306570) is 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline is CN1c2ccccc2CCc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.CN1c2ccccc2[Si](C)(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.CN1c2ccccc2[Si]2(CCCC2)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline?
The InChIKey is BCNTVPSGFYWKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45NSi.C54H43NSi.C54H41N/c1-56(2)48-22-9-8-18-42(48)46-34-38(26-29-49(46)56)55-44-20-7-6-19-43(44)54(45-28-25-37(33-47(45)55)41-21-14-16-36-15-4-5-17-40(36)41)39-27-30-53-51(35-39)57(3)50-23-10-11-24-52(50)58(53)31-12-13-32-58;1-54(2)46-22-11-10-18-40(46)44-32-36(26-29-47(44)54)53-42-20-9-8-19-41(42)52(37-27-30-51-49(33-37)55(3)48-23-12-13-24-50(48)56(51,4)5)43-28-25-35(31-45(43)53)39-21-14-16-34-15-6-7-17-38(34)39;1-54(2)48-21-10-9-17-42(48)46-32-38(28-30-49(46)54)53-44-19-8-7-18-43(44)52(39-26-25-36-24-23-35-14-5-11-22-50(35)55(3)51(36)33-39)45-29-27-37(31-47(45)53)41-20-12-15-34-13-4-6-16-40(34)41/h4-11,14-30,33-35H,12-13,31-32H2,1-3H3;6-33H,1-5H3;4-22,25-33H,23-24H2,1-3H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline?
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline has a molecular weight of 2198.03 g/mol, XLogP of 41.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine;3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];3-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 157306570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).