7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine

C67H80N2Si2 — CID 140738163

IUPAC7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)C([Si](C)(C)C)([Si](C)(C)C)c2c-4ccc3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc23)cc1
InChIInChI=1S/C67H80N2Si2/c1-63(2,3)48-21-30-52(31-22-48)68(53-32-23-49(24-33-53)64(4,5)6)56-29-19-45-43-60-59-39-20-46-41-57(38-40-58(46)62(59)67(70(13,14)15,71(16,17)18)61(60)44-47(45)42-56)69(54-34-25-50(26-35-54)65(7,8)9)55-36-27-51(28-37-55)66(10,11)12/h19-44H,1-18H3
InChIKeyVMHTWIVEKPUGGZ-UHFFFAOYSA-N
MW969.56 g/mol
LogP20.14
Rot. Bonds8

About 7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine

7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine (PubChem CID 140738163) has the molecular formula C67H80N2Si2 and a molecular weight of 969.56 g/mol. Its IUPAC name is 7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine.

Molecular Properties

Compound Name7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine
PubChem CID140738163
Molecular FormulaC67H80N2Si2
Molecular Weight969.56 g/mol
Exact Mass968.59
IUPAC Name7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)C([Si](C)(C)C)([Si](C)(C)C)c2c-4ccc3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc23)cc1
InChIInChI=1S/C67H80N2Si2/c1-63(2,3)48-21-30-52(31-22-48)68(53-32-23-49(24-33-53)64(4,5)6)56-29-19-45-43-60-59-39-20-46-41-57(38-40-58(46)62(59)67(70(13,14)15,71(16,17)18)61(60)44-47(45)42-56)69(54-34-25-50(26-35-54)65(7,8)9)55-36-27-51(28-37-55)66(10,11)12/h19-44H,1-18H3
InChIKeyVMHTWIVEKPUGGZ-UHFFFAOYSA-N
XLogP20.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.56
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 137494996
3-N,3-N,9-N,9-N-tetrakis(4-tert-butylphenyl)-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(4-methylphenyl)-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(4-propan-2-ylphenyl)-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine
CID 157464675
7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 140738045
11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
CID 160909742
9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155360000
2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine
CID 122416670
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290147
7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)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 140738191
2-N,2-N,8-N,8-N-tetrakis(4-cyclohexylphenyl)-11,11-bis(trimethylsilyl)benzo[b]fluorene-2,8-diamine
CID 140738112
3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenyl-11,11-bis(trimethylsilyl)benzo[a]fluorene-3,9-diamine
CID 140738244
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290148
7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 146497236

Frequently Asked Questions

What is the IUPAC name of 7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine?
The IUPAC name of 7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine (CID 140738163) is 7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine.
What is the SMILES notation for 7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine?
The canonical SMILES for 7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)C([Si](C)(C)C)([Si](C)(C)C)c2c-4ccc3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc23)cc1.
What is the InChIKey of 7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine?
The InChIKey is VMHTWIVEKPUGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H80N2Si2/c1-63(2,3)48-21-30-52(31-22-48)68(53-32-23-49(24-33-53)64(4,5)6)56-29-19-45-43-60-59-39-20-46-41-57(38-40-58(46)62(59)67(70(13,14)15,71(16,17)18)61(60)44-47(45)42-56)69(54-34-25-50(26-35-54)65(7,8)9)55-36-27-51(28-37-55)66(10,11)12/h19-44H,1-18H3.
What are the key properties of 7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine?
7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine has a molecular weight of 969.56 g/mol, XLogP of 20.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine is sourced from PubChem (CID 140738163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).