7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine

C65H50N2Si — CID 162125262

IUPAC7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
SMILESCc1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)ccc2c1C31c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C65H50N2Si/c1-43-19-11-16-28-59(43)66(47-21-7-5-8-22-47)49-34-38-52-45(41-49)31-36-54-55-37-32-46-42-50(67(48-23-9-6-10-24-48)60-29-17-18-30-61(60)68(2,3)4)35-39-53(46)64(55)65(63(52)54)57-27-15-14-26-56(57)62-51-25-13-12-20-44(51)33-40-58(62)65/h5-42H,1-4H3
InChIKeyYPFNRAGMBMWUPV-UHFFFAOYSA-N
MW887.21 g/mol
LogP17.28
Rot. Bonds7

About 7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine

7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine (PubChem CID 162125262) has the molecular formula C65H50N2Si and a molecular weight of 887.21 g/mol. Its IUPAC name is 7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine.

Molecular Properties

Compound Name7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
PubChem CID162125262
Molecular FormulaC65H50N2Si
Molecular Weight887.21 g/mol
Exact Mass886.37
IUPAC Name7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
SMILESCc1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)ccc2c1C31c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C65H50N2Si/c1-43-19-11-16-28-59(43)66(47-21-7-5-8-22-47)49-34-38-52-45(41-49)31-36-54-55-37-32-46-42-50(67(48-23-9-6-10-24-48)60-29-17-18-30-61(60)68(2,3)4)35-39-53(46)64(55)65(63(52)54)57-27-15-14-26-56(57)62-51-25-13-12-20-44(51)33-40-58(62)65/h5-42H,1-4H3
InChIKeyYPFNRAGMBMWUPV-UHFFFAOYSA-N
XLogP17.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.21
LogP ≤ 517.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine?
The IUPAC name of 7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine (CID 162125262) is 7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine.
What is the SMILES notation for 7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine?
The canonical SMILES for 7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine is Cc1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)ccc2c1C31c2ccccc2-c2c1ccc1ccccc21.
What is the InChIKey of 7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine?
The InChIKey is YPFNRAGMBMWUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N2Si/c1-43-19-11-16-28-59(43)66(47-21-7-5-8-22-47)49-34-38-52-45(41-49)31-36-54-55-37-32-46-42-50(67(48-23-9-6-10-24-48)60-29-17-18-30-61(60)68(2,3)4)35-39-53(46)64(55)65(63(52)54)57-27-15-14-26-56(57)62-51-25-13-12-20-44(51)33-40-58(62)65/h5-42H,1-4H3.
What are the key properties of 7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine?
7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine has a molecular weight of 887.21 g/mol, XLogP of 17.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine is sourced from PubChem (CID 162125262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).