5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine

C102H102N4 — CID 89074314

IUPAC5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cc3c4c(c2)C(C)(C)c2cc(N(c5ccc(C(C)(C)C)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc5c2N4c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)cc2C5(C)C)C3(C)C)cc1
InChIInChI=1S/C102H102N4/c1-94(2,3)61-34-40-64(41-35-61)103(67-46-49-76-73-28-22-25-31-79(73)97(10,11)82(76)52-67)70-55-85-91-86(56-70)101(18,19)88-58-72(105(66-44-38-63(39-45-66)96(7,8)9)69-48-51-78-75-30-24-27-33-81(75)99(14,15)84(78)54-69)60-90-93(88)106(91)92-87(100(85,16)17)57-71(59-89(92)102(90,20)21)104(65-42-36-62(37-43-65)95(4,5)6)68-47-50-77-74-29-23-26-32-80(74)98(12,13)83(77)53-68/h22-60H,1-21H3
InChIKeyXWAXIJFWMAHZBE-UHFFFAOYSA-N
MW1383.97 g/mol
LogP28.30
Rot. Bonds9

About 5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine

5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine (PubChem CID 89074314) has the molecular formula C102H102N4 and a molecular weight of 1383.97 g/mol. Its IUPAC name is 5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine.

Molecular Properties

Compound Name5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
PubChem CID89074314
Molecular FormulaC102H102N4
Molecular Weight1383.97 g/mol
Exact Mass1382.81
IUPAC Name5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cc3c4c(c2)C(C)(C)c2cc(N(c5ccc(C(C)(C)C)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc5c2N4c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)cc2C5(C)C)C3(C)C)cc1
InChIInChI=1S/C102H102N4/c1-94(2,3)61-34-40-64(41-35-61)103(67-46-49-76-73-28-22-25-31-79(73)97(10,11)82(76)52-67)70-55-85-91-86(56-70)101(18,19)88-58-72(105(66-44-38-63(39-45-66)96(7,8)9)69-48-51-78-75-30-24-27-33-81(75)99(14,15)84(78)54-69)60-90-93(88)106(91)92-87(100(85,16)17)57-71(59-89(92)102(90,20)21)104(65-42-36-62(37-43-65)95(4,5)6)68-47-50-77-74-29-23-26-32-80(74)98(12,13)83(77)53-68/h22-60H,1-21H3
InChIKeyXWAXIJFWMAHZBE-UHFFFAOYSA-N
XLogP28.30
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001383.97
LogP ≤ 528.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
CID 70892844
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
CID 168810581
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389668
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 167340405
4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389679
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline
CID 58389703
5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine
CID 70885498
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 143493158
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839

Frequently Asked Questions

What is the IUPAC name of 5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
The IUPAC name of 5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine (CID 89074314) is 5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine.
What is the SMILES notation for 5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
The canonical SMILES for 5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cc3c4c(c2)C(C)(C)c2cc(N(c5ccc(C(C)(C)C)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc5c2N4c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)cc2C5(C)C)C3(C)C)cc1.
What is the InChIKey of 5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
The InChIKey is XWAXIJFWMAHZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H102N4/c1-94(2,3)61-34-40-64(41-35-61)103(67-46-49-76-73-28-22-25-31-79(73)97(10,11)82(76)52-67)70-55-85-91-86(56-70)101(18,19)88-58-72(105(66-44-38-63(39-45-66)96(7,8)9)69-48-51-78-75-30-24-27-33-81(75)99(14,15)84(78)54-69)60-90-93(88)106(91)92-87(100(85,16)17)57-71(59-89(92)102(90,20)21)104(65-42-36-62(37-43-65)95(4,5)6)68-47-50-77-74-29-23-26-32-80(74)98(12,13)83(77)53-68/h22-60H,1-21H3.
What are the key properties of 5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?
5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine has a molecular weight of 1383.97 g/mol, XLogP of 28.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine is sourced from PubChem (CID 89074314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).