4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine

C69H71N3OSi2 — CID 174102647

IUPAC4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine
SMILESC=N/C=C\c1oc2c3c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c2c1C)C1(c2ccccc2-c2ccccc21)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)ccc1-3
InChIInChI=1S/C69H71N3OSi2/c1-45-63(41-42-70-8)73-66-64(45)62(72(50-29-25-47(26-30-50)68(5,6)7)51-33-38-54(39-34-51)75(12,13)14)44-61-65(66)57-40-35-52(43-60(57)69(61)58-21-17-15-19-55(58)56-20-16-18-22-59(56)69)71(48-27-23-46(24-28-48)67(2,3)4)49-31-36-53(37-32-49)74(9,10)11/h15-44H,8H2,1-7,9-14H3/b42-41-
InChIKeyWNZKOBKSZPTXHU-DYFOJMMBSA-N
MW1014.52 g/mol
LogP18.38
Rot. Bonds10

About 4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine

4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine (PubChem CID 174102647) has the molecular formula C69H71N3OSi2 and a molecular weight of 1014.52 g/mol. Its IUPAC name is 4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine.

Molecular Properties

Compound Name4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine
PubChem CID174102647
Molecular FormulaC69H71N3OSi2
Molecular Weight1014.52 g/mol
Exact Mass1013.51
IUPAC Name4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine
SMILESC=N/C=C\c1oc2c3c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c2c1C)C1(c2ccccc2-c2ccccc21)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)ccc1-3
InChIInChI=1S/C69H71N3OSi2/c1-45-63(41-42-70-8)73-66-64(45)62(72(50-29-25-47(26-30-50)68(5,6)7)51-33-38-54(39-34-51)75(12,13)14)44-61-65(66)57-40-35-52(43-60(57)69(61)58-21-17-15-19-55(58)56-20-16-18-22-59(56)69)71(48-27-23-46(24-28-48)67(2,3)4)49-31-36-53(37-32-49)74(9,10)11/h15-44H,8H2,1-7,9-14H3/b42-41-
InChIKeyWNZKOBKSZPTXHU-DYFOJMMBSA-N
XLogP18.38
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.52
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine with MolForge

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Related Compounds

6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine
CID 140764936
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140775776
5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140764938
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3,5-dimethylphenyl)-5-N'-(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 165053097
N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine
CID 140786782
6-N,12-N-bis(4-tert-butylphenyl)-9,9-diphenyl-6-N,12-N-bis(4-trimethylsilylphenyl)-20-oxa-18-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-6,12-diamine
CID 140764978
7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 163567021
5-N,9-N-bis(4-tert-butylphenyl)-5-N,9-N-bis(3-methylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 167178435
9-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethyl-9-(4-trimethylsilylphenyl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-6,12-diamine
CID 163883040
2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901
11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis[4-(2-fluorophenyl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-11,17-diamine
CID 126632935
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 118688084

Frequently Asked Questions

What is the IUPAC name of 4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine?
The IUPAC name of 4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine (CID 174102647) is 4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine.
What is the SMILES notation for 4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine?
The canonical SMILES for 4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine is C=N/C=C\c1oc2c3c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c2c1C)C1(c2ccccc2-c2ccccc21)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)ccc1-3.
What is the InChIKey of 4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine?
The InChIKey is WNZKOBKSZPTXHU-DYFOJMMBSA-N. The full InChI is InChI=1S/C69H71N3OSi2/c1-45-63(41-42-70-8)73-66-64(45)62(72(50-29-25-47(26-30-50)68(5,6)7)51-33-38-54(39-34-51)75(12,13)14)44-61-65(66)57-40-35-52(43-60(57)69(61)58-21-17-15-19-55(58)56-20-16-18-22-59(56)69)71(48-27-23-46(24-28-48)67(2,3)4)49-31-36-53(37-32-49)74(9,10)11/h15-44H,8H2,1-7,9-14H3/b42-41-.
What are the key properties of 4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine?
4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine has a molecular weight of 1014.52 g/mol, XLogP of 18.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N',8-N'-bis(4-tert-butylphenyl)-3'-methyl-2'-[(Z)-2-(methylideneamino)ethenyl]-4-N',8-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,6'-indeno[2,1-g][1]benzofuran]-4',8'-diamine is sourced from PubChem (CID 174102647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).