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

C118H93N3Si — CID 159414502

IUPAC3-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5nc6ccccc6n5-c5ccccc5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.CN1c2ccccc2[Si]2(CCCC2)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21
InChIInChI=1S/C61H51NSi.C57H42N2/c1-60(2)50-20-10-8-16-42(50)44-28-24-39(35-52(44)60)38-25-30-48-49(34-38)59(40-26-29-45-43-17-9-11-21-51(43)61(3,4)53(45)36-40)47-19-7-6-18-46(47)58(48)41-27-31-57-55(37-41)62(5)54-22-12-13-23-56(54)63(57)32-14-15-33-63;1-56(2)47-22-12-10-18-39(47)41-29-26-36(33-49(41)56)35-27-31-45-46(32-35)53(37-28-30-42-40-19-11-13-23-48(40)57(3,4)50(42)34-37)43-20-8-9-21-44(43)54(45)55-58-51-24-14-15-25-52(51)59(55)38-16-6-5-7-17-38/h6-13,16-31,34-37H,14-15,32-33H2,1-5H3;5-34H,1-4H3
InChIKeyLOZLKAVMKHRHEI-UHFFFAOYSA-N
MW1581.15 g/mol
LogP29.99
Rot. Bonds7

About 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

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 (PubChem CID 159414502) has the molecular formula C118H93N3Si and a molecular weight of 1581.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159414502
Molecular FormulaC118H93N3Si
Molecular Weight1581.15 g/mol
Exact Mass1579.71
IUPAC Name3-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5nc6ccccc6n5-c5ccccc5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.CN1c2ccccc2[Si]2(CCCC2)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21
InChIInChI=1S/C61H51NSi.C57H42N2/c1-60(2)50-20-10-8-16-42(50)44-28-24-39(35-52(44)60)38-25-30-48-49(34-38)59(40-26-29-45-43-17-9-11-21-51(43)61(3,4)53(45)36-40)47-19-7-6-18-46(47)58(48)41-27-31-57-55(37-41)62(5)54-22-12-13-23-56(54)63(57)32-14-15-33-63;1-56(2)47-22-12-10-18-39(47)41-29-26-36(33-49(41)56)35-27-31-45-46(32-35)53(37-28-30-42-40-19-11-13-23-48(40)57(3,4)50(42)34-37)43-20-8-9-21-44(43)54(45)55-58-51-24-14-15-25-52(51)59(55)38-16-6-5-7-17-38/h6-13,16-31,34-37H,14-15,32-33H2,1-5H3;5-34H,1-4H3
InChIKeyLOZLKAVMKHRHEI-UHFFFAOYSA-N
XLogP29.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001581.15
LogP ≤ 529.99
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 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 with MolForge

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Related Compounds

2-[4-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411797
2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-1-phenylbenzimidazole
CID 59195603
2-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-1-phenylbenzimidazole
CID 58411752
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 59194861
5-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 129192558
1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 166042974
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-1-phenylbenzimidazole
CID 59195314
2-[4-[10,10-dimethyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411901
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
1-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 170235644
CID 23590271
CID 23590271
3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5,9-dimethylspiro[8,9-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane]
CID 89139328

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5nc6ccccc6n5-c5ccccc5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.CN1c2ccccc2[Si]2(CCCC2)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21.
What is the InChIKey of 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?
The InChIKey is LOZLKAVMKHRHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H51NSi.C57H42N2/c1-60(2)50-20-10-8-16-42(50)44-28-24-39(35-52(44)60)38-25-30-48-49(34-38)59(40-26-29-45-43-17-9-11-21-51(43)61(3,4)53(45)36-40)47-19-7-6-18-46(47)58(48)41-27-31-57-55(37-41)62(5)54-22-12-13-23-56(54)63(57)32-14-15-33-63;1-56(2)47-22-12-10-18-39(47)41-29-26-36(33-49(41)56)35-27-31-45-46(32-35)53(37-28-30-42-40-19-11-13-23-48(40)57(3,4)50(42)34-37)43-20-8-9-21-44(43)54(45)55-58-51-24-14-15-25-52(51)59(55)38-16-6-5-7-17-38/h6-13,16-31,34-37H,14-15,32-33H2,1-5H3;5-34H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1581.15 g/mol, XLogP of 29.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159414502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).