9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene]

C60H36N4Si — CID 58249869

IUPAC9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene]
SMILESc1ccc(-c2c(-c3ccccc3)c3c4ccccc4n4c3c3c2c2ccccc2n3[Si]42n3c4ccccc4c4c(-c5ccccc5)c(-c5ccccc5)c5c6ccccc6n2c5c43)cc1
InChIInChI=1S/C60H36N4Si/c1-5-21-37(22-6-1)49-50(38-23-7-2-8-24-38)54-42-30-14-18-34-46(42)62-58(54)57-53(49)41-29-13-17-33-45(41)61(57)65(62)63-47-35-19-15-31-43(47)55-51(39-25-9-3-10-26-39)52(40-27-11-4-12-28-40)56-44-32-16-20-36-48(44)64(65)60(56)59(55)63/h1-36H
InChIKeyVMARPSCFEGKBFG-UHFFFAOYSA-N
MW841.06 g/mol
LogP15.34
Rot. Bonds4

About 9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene]

9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene] (PubChem CID 58249869) has the molecular formula C60H36N4Si and a molecular weight of 841.06 g/mol. Its IUPAC name is 9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene].

Molecular Properties

Compound Name9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene]
PubChem CID58249869
Molecular FormulaC60H36N4Si
Molecular Weight841.06 g/mol
Exact Mass840.27
IUPAC Name9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene]
SMILESc1ccc(-c2c(-c3ccccc3)c3c4ccccc4n4c3c3c2c2ccccc2n3[Si]42n3c4ccccc4c4c(-c5ccccc5)c(-c5ccccc5)c5c6ccccc6n2c5c43)cc1
InChIInChI=1S/C60H36N4Si/c1-5-21-37(22-6-1)49-50(38-23-7-2-8-24-38)54-42-30-14-18-34-46(42)62-58(54)57-53(49)41-29-13-17-33-45(41)61(57)65(62)63-47-35-19-15-31-43(47)55-51(39-25-9-3-10-26-39)52(40-27-11-4-12-28-40)56-44-32-16-20-36-48(44)64(65)60(56)59(55)63/h1-36H
InChIKeyVMARPSCFEGKBFG-UHFFFAOYSA-N
XLogP15.34
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.06
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-methyl-5,6-diphenylbenzo[a]carbazole
CID 102308000
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole
CID 131997783
2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole
CID 71620291
CID 88889233
CID 88889233
10,10,26,26-tetramethyl-9,25-diaza-10,26-disilanonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11,13,15,17(34),18(33),19,21,23,27,29,31-pentadecaene
CID 71277247
10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 12780582
4,9-diphenyl-1H-pyrrolo[2,3-b]carbazole
CID 90257487
6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene
CID 164809391
5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255301
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 163783995
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799969

Frequently Asked Questions

What is the IUPAC name of 9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene]?
The IUPAC name of 9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene] (CID 58249869) is 9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene].
What is the SMILES notation for 9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene]?
The canonical SMILES for 9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene] is c1ccc(-c2c(-c3ccccc3)c3c4ccccc4n4c3c3c2c2ccccc2n3[Si]42n3c4ccccc4c4c(-c5ccccc5)c(-c5ccccc5)c5c6ccccc6n2c5c43)cc1.
What is the InChIKey of 9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene]?
The InChIKey is VMARPSCFEGKBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4Si/c1-5-21-37(22-6-1)49-50(38-23-7-2-8-24-38)54-42-30-14-18-34-46(42)62-58(54)57-53(49)41-29-13-17-33-45(41)61(57)65(62)63-47-35-19-15-31-43(47)55-51(39-25-9-3-10-26-39)52(40-27-11-4-12-28-40)56-44-32-16-20-36-48(44)64(65)60(56)59(55)63/h1-36H.
What are the key properties of 9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene]?
9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene] has a molecular weight of 841.06 g/mol, XLogP of 15.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene] is sourced from PubChem (CID 58249869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).