N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine

C54H33NO3 — CID 138651140

IUPACN-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cc5oc6ccc7c8ccccc8oc7c6c5c5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H33NO3/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)37-27-29-39(30-28-37)55(44-20-10-7-17-40(44)38-15-5-2-6-16-38)45-33-49-51(50-43-19-9-12-22-47(43)58-54(45)50)52-48(56-49)32-31-42-41-18-8-11-21-46(41)57-53(42)52/h1-33H
InChIKeySMPLMTDJZDNPIL-UHFFFAOYSA-N
MW743.86 g/mol
LogP15.86
Rot. Bonds6

About N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine

N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine (PubChem CID 138651140) has the molecular formula C54H33NO3 and a molecular weight of 743.86 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine
PubChem CID138651140
Molecular FormulaC54H33NO3
Molecular Weight743.86 g/mol
Exact Mass743.25
IUPAC NameN-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cc5oc6ccc7c8ccccc8oc7c6c5c5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H33NO3/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)37-27-29-39(30-28-37)55(44-20-10-7-17-40(44)38-15-5-2-6-16-38)45-33-49-51(50-43-19-9-12-22-47(43)58-54(45)50)52-48(56-49)32-31-42-41-18-8-11-21-46(41)57-53(42)52/h1-33H
InChIKeySMPLMTDJZDNPIL-UHFFFAOYSA-N
XLogP15.86
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.86
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine with MolForge

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)phenyl]aniline
CID 138650794
N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline
CID 138650773
N-[4-(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-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 174321866
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345
N-[4-(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-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234
N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162048337
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172500844
N-[4-(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-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172502136
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186723

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine?
The IUPAC name of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine (CID 138651140) is N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cc5oc6ccc7c8ccccc8oc7c6c5c5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine?
The InChIKey is SMPLMTDJZDNPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO3/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)37-27-29-39(30-28-37)55(44-20-10-7-17-40(44)38-15-5-2-6-16-38)45-33-49-51(50-43-19-9-12-22-47(43)58-54(45)50)52-48(56-49)32-31-42-41-18-8-11-21-46(41)57-53(42)52/h1-33H.
What are the key properties of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine?
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine has a molecular weight of 743.86 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine is sourced from PubChem (CID 138651140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).