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]

C137H113N3Si — CID 158878022

IUPAC2-[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]
SMILESCc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3C=C4)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3CC4)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3[Si]43CCCC3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C47H41NSi.C45H37N.C45H35N/c1-30-22-24-34-37(28-30)45(36-17-13-19-39-46(36)35-16-7-8-18-38(35)47(39,2)3)33-15-6-5-14-32(33)44(34)31-23-25-43-41(29-31)48(4)40-20-9-10-21-42(40)49(43)26-11-12-27-49;2*1-28-20-25-34-37(26-28)43(36-16-11-18-39-44(36)35-15-8-9-17-38(35)45(39,2)3)33-14-7-6-13-32(33)42(34)31-24-23-30-22-21-29-12-5-10-19-40(29)46(4)41(30)27-31/h5-10,13-25,28-29H,11-12,26-27H2,1-4H3;5-20,23-27H,21-22H2,1-4H3;5-27H,1-4H3
InChIKeyJCRIGSNJVNSJEX-UHFFFAOYSA-N
MW1829.52 g/mol
LogP35.38
Rot. Bonds6

About 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]

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] (PubChem CID 158878022) has the molecular formula C137H113N3Si and a molecular weight of 1829.52 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name2-[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]
PubChem CID158878022
Molecular FormulaC137H113N3Si
Molecular Weight1829.52 g/mol
Exact Mass1827.87
IUPAC Name2-[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]
SMILESCc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3C=C4)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3CC4)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3[Si]43CCCC3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C47H41NSi.C45H37N.C45H35N/c1-30-22-24-34-37(28-30)45(36-17-13-19-39-46(36)35-16-7-8-18-38(35)47(39,2)3)33-15-6-5-14-32(33)44(34)31-23-25-43-41(29-31)48(4)40-20-9-10-21-42(40)49(43)26-11-12-27-49;2*1-28-20-25-34-37(26-28)43(36-16-11-18-39-44(36)35-15-8-9-17-38(35)45(39,2)3)33-14-7-6-13-32(33)42(34)31-24-23-30-22-21-29-12-5-10-19-40(29)46(4)41(30)27-31/h5-10,13-25,28-29H,11-12,26-27H2,1-4H3;5-20,23-27H,21-22H2,1-4H3;5-27H,1-4H3
InChIKeyJCRIGSNJVNSJEX-UHFFFAOYSA-N
XLogP35.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001829.52
LogP ≤ 535.38
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 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] with MolForge

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Related Compounds

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
3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 59194817
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-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine
CID 59195073
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine
CID 59196517
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194678
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-11-methylbenzo[b][1]benzazepine
CID 59195488
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
5-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]-10-methylphenazine
CID 59195797
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine
CID 59195977
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine
CID 59196377
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine
CID 159013709

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3C=C4)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3CC4)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3[Si]43CCCC3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.
What is the InChIKey of 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]?
The InChIKey is JCRIGSNJVNSJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41NSi.C45H37N.C45H35N/c1-30-22-24-34-37(28-30)45(36-17-13-19-39-46(36)35-16-7-8-18-38(35)47(39,2)3)33-15-6-5-14-32(33)44(34)31-23-25-43-41(29-31)48(4)40-20-9-10-21-42(40)49(43)26-11-12-27-49;2*1-28-20-25-34-37(26-28)43(36-16-11-18-39-44(36)35-15-8-9-17-38(35)45(39,2)3)33-14-7-6-13-32(33)42(34)31-24-23-30-22-21-29-12-5-10-19-40(29)46(4)41(30)27-31/h5-10,13-25,28-29H,11-12,26-27H2,1-4H3;5-20,23-27H,21-22H2,1-4H3;5-27H,1-4H3.
What are the key properties of 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]?
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] has a molecular weight of 1829.52 g/mol, XLogP of 35.38, 6 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-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] is sourced from PubChem (CID 158878022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).