8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine

C74H48N4O2Si — CID 153283747

IUPAC8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5oc(-c6ccccc6)nc35)-c3c(cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5nc(-c6ccccc6)oc35)[Si]43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C74H48N4O2Si/c1-7-23-49(24-8-1)51-39-43-57(44-40-51)77(55-31-15-5-16-32-55)61-47-65-67(71-69(61)75-73(79-71)53-27-11-3-12-28-53)68-66(81(65)63-37-21-19-35-59(63)60-36-20-22-38-64(60)81)48-62(70-72(68)80-74(76-70)54-29-13-4-14-30-54)78(56-33-17-6-18-34-56)58-45-41-52(42-46-58)50-25-9-2-10-26-50/h1-48H
InChIKeyCDXKTBJSGFOGOY-UHFFFAOYSA-N
MW1053.31 g/mol
LogP16.91
Rot. Bonds10

About 8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine

8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine (PubChem CID 153283747) has the molecular formula C74H48N4O2Si and a molecular weight of 1053.31 g/mol. Its IUPAC name is 8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine.

Molecular Properties

Compound Name8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine
PubChem CID153283747
Molecular FormulaC74H48N4O2Si
Molecular Weight1053.31 g/mol
Exact Mass1052.35
IUPAC Name8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5oc(-c6ccccc6)nc35)-c3c(cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5nc(-c6ccccc6)oc35)[Si]43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C74H48N4O2Si/c1-7-23-49(24-8-1)51-39-43-57(44-40-51)77(55-31-15-5-16-32-55)61-47-65-67(71-69(61)75-73(79-71)53-27-11-3-12-28-53)68-66(81(65)63-37-21-19-35-59(63)60-36-20-22-38-64(60)81)48-62(70-72(68)80-74(76-70)54-29-13-4-14-30-54)78(56-33-17-6-18-34-56)58-45-41-52(42-46-58)50-25-9-2-10-26-50/h1-48H
InChIKeyCDXKTBJSGFOGOY-UHFFFAOYSA-N
XLogP16.91
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.31
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine 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

8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine
CID 153283647
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 176785571
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline
CID 176785610
N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025194
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
CID 167123009
5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
CID 170247879
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine
CID 170023425
N-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
4-phenyl-N,N-bis(4-phenylphenyl)-5-oxa-3-azapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2(6),3,7,9,11,14,16,18,20-decaen-21-amine
CID 170122358
N-[4-(7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),8,11(16),12,14-octaen-8-yl)phenyl]-N,2-diphenylaniline
CID 177089780
5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine
CID 153283719
N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-N,3-diphenylaniline
CID 171747683

Frequently Asked Questions

What is the IUPAC name of 8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine?
The IUPAC name of 8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine (CID 153283747) is 8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine.
What is the SMILES notation for 8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine?
The canonical SMILES for 8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5oc(-c6ccccc6)nc35)-c3c(cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5nc(-c6ccccc6)oc35)[Si]43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine?
The InChIKey is CDXKTBJSGFOGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N4O2Si/c1-7-23-49(24-8-1)51-39-43-57(44-40-51)77(55-31-15-5-16-32-55)61-47-65-67(71-69(61)75-73(79-71)53-27-11-3-12-28-53)68-66(81(65)63-37-21-19-35-59(63)60-36-20-22-38-64(60)81)48-62(70-72(68)80-74(76-70)54-29-13-4-14-30-54)78(56-33-17-6-18-34-56)58-45-41-52(42-46-58)50-25-9-2-10-26-50/h1-48H.
What are the key properties of 8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine?
8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine has a molecular weight of 1053.31 g/mol, XLogP of 16.91, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)spiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine is sourced from PubChem (CID 153283747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).