10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine

C64H49B2NSi — CID 164766507

IUPAC10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine
SMILESCC1(C)c2ccccc2B2c3ccccc3[Si]3(c4ccccc4B(c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)C6C=CC=CC65)cc4)c4ccccc43)c3cccc1c32
InChIInChI=1S/C64H49B2NSi/c1-63(2)48-26-9-12-30-52(48)66-55-33-15-20-38-60(55)68(61-39-21-29-51(63)62(61)66)58-36-18-13-31-53(58)65(54-32-14-19-37-59(54)68)46-40-42-47(43-41-46)67-56-34-16-10-27-49(56)64(44-22-5-3-6-23-44,45-24-7-4-8-25-45)50-28-11-17-35-57(50)67/h3-43,49,56H,1-2H3
InChIKeyBQJQIAUHNYNAJO-UHFFFAOYSA-N
MW881.81 g/mol
LogP6.96
Rot. Bonds4

About 10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine

10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine (PubChem CID 164766507) has the molecular formula C64H49B2NSi and a molecular weight of 881.81 g/mol. Its IUPAC name is 10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine.

Molecular Properties

Compound Name10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine
PubChem CID164766507
Molecular FormulaC64H49B2NSi
Molecular Weight881.81 g/mol
Exact Mass881.38
IUPAC Name10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine
SMILESCC1(C)c2ccccc2B2c3ccccc3[Si]3(c4ccccc4B(c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)C6C=CC=CC65)cc4)c4ccccc43)c3cccc1c32
InChIInChI=1S/C64H49B2NSi/c1-63(2)48-26-9-12-30-52(48)66-55-33-15-20-38-60(55)68(61-39-21-29-51(63)62(61)66)58-36-18-13-31-53(58)65(54-32-14-19-37-59(54)68)46-40-42-47(43-41-46)67-56-34-16-10-27-49(56)64(44-22-5-3-6-23-44,45-24-7-4-8-25-45)50-28-11-17-35-57(50)67/h3-43,49,56H,1-2H3
InChIKeyBQJQIAUHNYNAJO-UHFFFAOYSA-N
XLogP6.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.81
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine with MolForge

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Related Compounds

4-[10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]anthracen-9-yl]pyridine
CID 164766591
14,14-dimethyl-4-phenyl-8-(4-phenylphenyl)-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 176602146
22,22-dimethyl-8,8,14-triphenyl-1-aza-8-sila-14-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 155605523
10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine
CID 155653881
8-phenyl-10'-[4-(10-pyridin-4-ylanthracen-9-yl)phenyl]spiro[8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,5'-benzo[b][1,4]benzosilaborinine]
CID 164766594
4-[5-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10'-spirobi[4a,10a-dihydrobenzo[b][1]benzoborinine]-5'-yl]-N,N-diphenylaniline
CID 155655834
8-phenyl-10'-[4-(9-phenylcarbazol-2-yl)phenyl]spiro[8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,5'-benzo[b][1,4]benzosilaborinine]
CID 164766541
10-methyl-5,10-diphenylbenzo[b][1]benzoborinine
CID 171732622
3,8-dimethyl-21,21-diphenyl-2-aza-21-sila-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),9,11,13(27),15,17,19,22,24-nonaene
CID 162507751
5,5,21,21-tetramethyl-N,N,15-triphenyl-15-aza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-8-amine
CID 176602224
5,5,12,12,26,26,33,33-octamethyl-16,22-diphenyl-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene
CID 163585402
7,7,27,27-tetramethyl-16,18-diphenyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15(33),16,18,21,23,25,28,30,32(34)-pentadecaene
CID 140684263

Frequently Asked Questions

What is the IUPAC name of 10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine?
The IUPAC name of 10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine (CID 164766507) is 10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine.
What is the SMILES notation for 10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine?
The canonical SMILES for 10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine is CC1(C)c2ccccc2B2c3ccccc3[Si]3(c4ccccc4B(c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)C6C=CC=CC65)cc4)c4ccccc43)c3cccc1c32.
What is the InChIKey of 10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine?
The InChIKey is BQJQIAUHNYNAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49B2NSi/c1-63(2)48-26-9-12-30-52(48)66-55-33-15-20-38-60(55)68(61-39-21-29-51(63)62(61)66)58-36-18-13-31-53(58)65(54-32-14-19-37-59(54)68)46-40-42-47(43-41-46)67-56-34-16-10-27-49(56)64(44-22-5-3-6-23-44,45-24-7-4-8-25-45)50-28-11-17-35-57(50)67/h3-43,49,56H,1-2H3.
What are the key properties of 10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine?
10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine has a molecular weight of 881.81 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(14,14-dimethylspiro[8-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,5'-benzo[b][1,4]benzosilaborinine]-10'-yl)phenyl]-9,9-diphenyl-4a,9a-dihydroacridine is sourced from PubChem (CID 164766507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).