12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C64H57N3OSi2 — CID 153487358

IUPAC12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C)cc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C64H57N3OSi2/c1-42-21-25-44(26-22-42)65(46-29-34-49(35-30-46)69(3,4)5)57-40-59-63(54-18-11-9-15-51(54)57)64-55-19-12-10-16-52(55)58(66(45-27-23-43(2)24-28-45)47-31-36-50(37-32-47)70(6,7)8)41-60(64)67(59)48-33-38-62-56(39-48)53-17-13-14-20-61(53)68-62/h9-41H,1-8H3
InChIKeyFVLSTISKDUNBGO-UHFFFAOYSA-N
MW940.35 g/mol
LogP17.64
Rot. Bonds9

About 12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 153487358) has the molecular formula C64H57N3OSi2 and a molecular weight of 940.35 g/mol. Its IUPAC name is 12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

Compound Name12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
PubChem CID153487358
Molecular FormulaC64H57N3OSi2
Molecular Weight940.35 g/mol
Exact Mass939.40
IUPAC Name12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C)cc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C64H57N3OSi2/c1-42-21-25-44(26-22-42)65(46-29-34-49(35-30-46)69(3,4)5)57-40-59-63(54-18-11-9-15-51(54)57)64-55-19-12-10-16-52(55)58(66(45-27-23-43(2)24-28-45)47-31-36-50(37-32-47)70(6,7)8)41-60(64)67(59)48-33-38-62-56(39-48)53-17-13-14-20-61(53)68-62/h9-41H,1-8H3
InChIKeyFVLSTISKDUNBGO-UHFFFAOYSA-N
XLogP17.64
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.35
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-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

12-dibenzofuran-2-yl-9-N,15-N-bis(3-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487450
12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487441
12-dibenzothiophen-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487475
11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 155360854
9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487452
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263216
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402366
9-N,9-N,15-N,15-N-tetraphenyl-12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487397
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
CID 58510759
10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
CID 155644974
9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487388

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The IUPAC name of 12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 153487358) is 12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
What is the SMILES notation for 12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The canonical SMILES for 12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C)cc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The InChIKey is FVLSTISKDUNBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H57N3OSi2/c1-42-21-25-44(26-22-42)65(46-29-34-49(35-30-46)69(3,4)5)57-40-59-63(54-18-11-9-15-51(54)57)64-55-19-12-10-16-52(55)58(66(45-27-23-43(2)24-28-45)47-31-36-50(37-32-47)70(6,7)8)41-60(64)67(59)48-33-38-62-56(39-48)53-17-13-14-20-61(53)68-62/h9-41H,1-8H3.
What are the key properties of 12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 940.35 g/mol, XLogP of 17.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 153487358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).