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

C101H97N3O2Si — CID 163883040

IUPAC9-[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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc([Si](C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)c3c4-c4ccccc4C3(C)C)cc2)cc1
InChIInChI=1S/C101H97N3O2Si/c1-96(2,3)64-36-48-70(49-37-64)102(71-50-38-65(39-51-71)97(4,5)6)72-56-44-68(45-57-72)101(69-46-59-76(60-47-69)107(15,16)17)84-62-75(103(73-52-40-66(41-53-73)98(7,8)9)86-32-24-29-79-77-26-19-22-34-89(77)105-94(79)86)58-61-82(84)91-85(101)63-88(93-92(91)81-28-18-21-31-83(81)100(93,13)14)104(74-54-42-67(43-55-74)99(10,11)12)87-33-25-30-80-78-27-20-23-35-90(78)106-95(80)87/h18-63H,1-17H3
InChIKeySGPOAGGWCFMVIM-UHFFFAOYSA-N
MW1412.99 g/mol
LogP28.30
Rot. Bonds12

About 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

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 (PubChem CID 163883040) has the molecular formula C101H97N3O2Si and a molecular weight of 1412.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID163883040
Molecular FormulaC101H97N3O2Si
Molecular Weight1412.99 g/mol
Exact Mass1411.74
IUPAC Name9-[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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc([Si](C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)c3c4-c4ccccc4C3(C)C)cc2)cc1
InChIInChI=1S/C101H97N3O2Si/c1-96(2,3)64-36-48-70(49-37-64)102(71-50-38-65(39-51-71)97(4,5)6)72-56-44-68(45-57-72)101(69-46-59-76(60-47-69)107(15,16)17)84-62-75(103(73-52-40-66(41-53-73)98(7,8)9)86-32-24-29-79-77-26-19-22-34-89(77)105-94(79)86)58-61-82(84)91-85(101)63-88(93-92(91)81-28-18-21-31-83(81)100(93,13)14)104(74-54-42-67(43-55-74)99(10,11)12)87-33-25-30-80-78-27-20-23-35-90(78)106-95(80)87/h18-63H,1-17H3
InChIKeySGPOAGGWCFMVIM-UHFFFAOYSA-N
XLogP28.30
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001412.99
LogP ≤ 528.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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;9-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-6-N,12-N,9-tris(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-6,12-diamine;9-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-6-N,12-N,9-tris(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethylpentacyclo[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 163883037
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
N-(4-tert-butylphenyl)-14,14-dimethyl-N-(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-amine
CID 140786774
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
N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine
CID 140786782
5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
CID 162060019
15-[4-(4-tert-butylphenoxy)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-10,10-dimethyl-12-N,18-N-diphenyl-26-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163638141
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-9,9-bis(4-phenylphenyl)fluoren-2-amine
CID 158372369
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-26,26-dimethyl-12-N,18-N-dinaphthalen-1-yl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163596922
2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine
CID 154955026
9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine
CID 140758762

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc([Si](C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)c3c4-c4ccccc4C3(C)C)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is SGPOAGGWCFMVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H97N3O2Si/c1-96(2,3)64-36-48-70(49-37-64)102(71-50-38-65(39-51-71)97(4,5)6)72-56-44-68(45-57-72)101(69-46-59-76(60-47-69)107(15,16)17)84-62-75(103(73-52-40-66(41-53-73)98(7,8)9)86-32-24-29-79-77-26-19-22-34-89(77)105-94(79)86)58-61-82(84)91-85(101)63-88(93-92(91)81-28-18-21-31-83(81)100(93,13)14)104(74-54-42-67(43-55-74)99(10,11)12)87-33-25-30-80-78-27-20-23-35-90(78)106-95(80)87/h18-63H,1-17H3.
What are the key properties of 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?
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 has a molecular weight of 1412.99 g/mol, XLogP of 28.30, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163883040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).