11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine

C82H54F2N4O2 — CID 163831183

IUPAC11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine
SMILESFc1ccc(N(c2ccccc2)c2cc3c(cc(N(c4ccccc4)c4ccc(F)cc4)c4oc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc5c43)c3c2oc2cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc23)cc1
InChIInChI=1S/C82H54F2N4O2/c83-59-35-43-67(44-36-59)87(63-27-15-5-16-28-63)75-54-74-73(79-71-49-47-69(51-77(71)89-81(75)79)85(61-23-11-3-12-24-61)65-39-31-57(32-40-65)55-19-7-1-8-20-55)53-76(88(64-29-17-6-18-30-64)68-45-37-60(84)38-46-68)82-80(74)72-50-48-70(52-78(72)90-82)86(62-25-13-4-14-26-62)66-41-33-58(34-42-66)56-21-9-2-10-22-56/h1-54H
InChIKeyODTYXLLYDXBQAL-UHFFFAOYSA-N
MW1165.36 g/mol
LogP24.13
Rot. Bonds14

About 11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine

11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine (PubChem CID 163831183) has the molecular formula C82H54F2N4O2 and a molecular weight of 1165.36 g/mol. Its IUPAC name is 11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine.

Molecular Properties

Compound Name11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine
PubChem CID163831183
Molecular FormulaC82H54F2N4O2
Molecular Weight1165.36 g/mol
Exact Mass1164.42
IUPAC Name11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine
SMILESFc1ccc(N(c2ccccc2)c2cc3c(cc(N(c4ccccc4)c4ccc(F)cc4)c4oc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc5c43)c3c2oc2cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc23)cc1
InChIInChI=1S/C82H54F2N4O2/c83-59-35-43-67(44-36-59)87(63-27-15-5-16-28-63)75-54-74-73(79-71-49-47-69(51-77(71)89-81(75)79)85(61-23-11-3-12-24-61)65-39-31-57(32-40-65)55-19-7-1-8-20-55)53-76(88(64-29-17-6-18-30-64)68-45-37-60(84)38-46-68)82-80(74)72-50-48-70(52-78(72)90-82)86(62-25-13-4-14-26-62)66-41-33-58(34-42-66)56-21-9-2-10-22-56/h1-54H
InChIKeyODTYXLLYDXBQAL-UHFFFAOYSA-N
XLogP24.13
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.36
LogP ≤ 524.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine with MolForge

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Related Compounds

N,N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433676
6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine
CID 163741499
9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171597091
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844541
N-phenyl-N-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 138651086
4-phenyl-N-(4-phenylphenyl)-N-[4-[18-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-5-yl]phenyl]aniline;5-N,5-N,18-N,18-N-tetrakis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 158006523
6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-6,12-diamine
CID 138651057
N,N,6-triphenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 176844324
N-naphthalen-1-yl-N-phenyl-18-[4-(N-phenylanilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-5-amine
CID 121260370
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
CID 167124758

Frequently Asked Questions

What is the IUPAC name of 11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine?
The IUPAC name of 11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine (CID 163831183) is 11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine.
What is the SMILES notation for 11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine?
The canonical SMILES for 11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine is Fc1ccc(N(c2ccccc2)c2cc3c(cc(N(c4ccccc4)c4ccc(F)cc4)c4oc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc5c43)c3c2oc2cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc23)cc1.
What is the InChIKey of 11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine?
The InChIKey is ODTYXLLYDXBQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H54F2N4O2/c83-59-35-43-67(44-36-59)87(63-27-15-5-16-28-63)75-54-74-73(79-71-49-47-69(51-77(71)89-81(75)79)85(61-23-11-3-12-24-61)65-39-31-57(32-40-65)55-19-7-1-8-20-55)53-76(88(64-29-17-6-18-30-64)68-45-37-60(84)38-46-68)82-80(74)72-50-48-70(52-78(72)90-82)86(62-25-13-4-14-26-62)66-41-33-58(34-42-66)56-21-9-2-10-22-56/h1-54H.
What are the key properties of 11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine?
11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine has a molecular weight of 1165.36 g/mol, XLogP of 24.13, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N,23-N-bis(4-fluorophenyl)-6-N,11-N,18-N,23-N-tetraphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine is sourced from PubChem (CID 163831183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).