14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine

C77H72N2O2 — CID 163491808

IUPAC14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccc(C(C)(C)C)cc2)(c2ccc4oc5ccc(C(C)(C)C)cc5c4c2)c2cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4oc5ccccc5c4c2-3)cc1
InChIInChI=1S/C77H72N2O2/c1-73(2,3)49-27-29-52(30-28-49)77(54-36-44-69-63(46-54)62-45-53(76(10,11)12)35-43-68(62)80-69)64-47-59(78(55-21-15-13-16-22-55)57-37-31-50(32-38-57)74(4,5)6)41-42-60(64)70-65(77)48-66(72-71(70)61-25-19-20-26-67(61)81-72)79(56-23-17-14-18-24-56)58-39-33-51(34-40-58)75(7,8)9/h13-48H,1-12H3
InChIKeyQPNWMUXHZGPBTN-UHFFFAOYSA-N
MW1057.43 g/mol
LogP21.98
Rot. Bonds8

About 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine

14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine (PubChem CID 163491808) has the molecular formula C77H72N2O2 and a molecular weight of 1057.43 g/mol. Its IUPAC name is 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine.

Molecular Properties

Compound Name14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
PubChem CID163491808
Molecular FormulaC77H72N2O2
Molecular Weight1057.43 g/mol
Exact Mass1056.56
IUPAC Name14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccc(C(C)(C)C)cc2)(c2ccc4oc5ccc(C(C)(C)C)cc5c4c2)c2cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4oc5ccccc5c4c2-3)cc1
InChIInChI=1S/C77H72N2O2/c1-73(2,3)49-27-29-52(30-28-49)77(54-36-44-69-63(46-54)62-45-53(76(10,11)12)35-43-68(62)80-69)64-47-59(78(55-21-15-13-16-22-55)57-37-31-50(32-38-57)74(4,5)6)41-42-60(64)70-65(77)48-66(72-71(70)61-25-19-20-26-67(61)81-72)79(56-23-17-14-18-24-56)58-39-33-51(34-40-58)75(7,8)9/h13-48H,1-12H3
InChIKeyQPNWMUXHZGPBTN-UHFFFAOYSA-N
XLogP21.98
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.43
LogP ≤ 521.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine with MolForge

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Related Compounds

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
12-N,18-N,15-tris(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-diphenyl-10,26-dioxaheptacyclo[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 163806295
17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
CID 140785086
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
12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-naphthalen-2-yl-15,15-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
CID 162712140
14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine
CID 163416775
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-15-(4-tert-butylphenyl)-12-N,18-N-diphenyl-12-N,18-N-bis(4-trimethylsilylphenyl)-10,26-dioxaheptacyclo[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;15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,12-N,18-N,18-N-tetraphenyl-15-(4-trimethylsilylphenyl)-10,26-dioxaheptacyclo[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;12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-15-[4-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-10,26-dioxaheptacyclo[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 163446461
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-diphenyl-15-(4-triphenylsilylphenyl)-10,26-dioxaheptacyclo[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 163807289
N,N-bis(4-tert-butylphenyl)-15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 146439941
14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine
CID 163878087
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
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

Frequently Asked Questions

What is the IUPAC name of 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine?
The IUPAC name of 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine (CID 163491808) is 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine.
What is the SMILES notation for 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine?
The canonical SMILES for 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccc(C(C)(C)C)cc2)(c2ccc4oc5ccc(C(C)(C)C)cc5c4c2)c2cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4oc5ccccc5c4c2-3)cc1.
What is the InChIKey of 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine?
The InChIKey is QPNWMUXHZGPBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H72N2O2/c1-73(2,3)49-27-29-52(30-28-49)77(54-36-44-69-63(46-54)62-45-53(76(10,11)12)35-43-68(62)80-69)64-47-59(78(55-21-15-13-16-22-55)57-37-31-50(32-38-57)74(4,5)6)41-42-60(64)70-65(77)48-66(72-71(70)61-25-19-20-26-67(61)81-72)79(56-23-17-14-18-24-56)58-39-33-51(34-40-58)75(7,8)9/h13-48H,1-12H3.
What are the key properties of 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine?
14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine has a molecular weight of 1057.43 g/mol, XLogP of 21.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine is sourced from PubChem (CID 163491808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).