N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline

C54H35N3O — CID 121286448

IUPACN,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccc8c9ccccc9n(-c9ccccc9)c8c7oc6c54)cc3)c2)cc1
InChIInChI=1S/C54H35N3O/c1-4-16-38(17-5-1)55(39-18-6-2-7-19-39)42-22-14-15-37(35-42)36-27-29-41(30-28-36)57-50-26-13-11-24-44(50)46-32-34-48-47-33-31-45-43-23-10-12-25-49(43)56(40-20-8-3-9-21-40)51(45)53(47)58-54(48)52(46)57/h1-35H
InChIKeyMDZHSQHBEKGMQG-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.92
Rot. Bonds6

About N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline

N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline (PubChem CID 121286448) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline
PubChem CID121286448
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC NameN,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccc8c9ccccc9n(-c9ccccc9)c8c7oc6c54)cc3)c2)cc1
InChIInChI=1S/C54H35N3O/c1-4-16-38(17-5-1)55(39-18-6-2-7-19-39)42-22-14-15-37(35-42)36-27-29-41(30-28-36)57-50-26-13-11-24-44(50)46-32-34-48-47-33-31-45-43-23-10-12-25-49(43)56(40-20-8-3-9-21-40)51(45)53(47)58-54(48)52(46)57/h1-35H
InChIKeyMDZHSQHBEKGMQG-UHFFFAOYSA-N
XLogP14.92
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline with MolForge

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Related Compounds

N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
9,9-dimethyl-N-phenyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 121286556
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine
CID 121286493
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 138746953
4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158182642
4-phenyl-N-[4-[4-(6-phenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118150060
4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901505
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline?
The IUPAC name of N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline (CID 121286448) is N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline?
The canonical SMILES for N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline is c1ccc(N(c2ccccc2)c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccc8c9ccccc9n(-c9ccccc9)c8c7oc6c54)cc3)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline?
The InChIKey is MDZHSQHBEKGMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-4-16-38(17-5-1)55(39-18-6-2-7-19-39)42-22-14-15-37(35-42)36-27-29-41(30-28-36)57-50-26-13-11-24-44(50)46-32-34-48-47-33-31-45-43-23-10-12-25-49(43)56(40-20-8-3-9-21-40)51(45)53(47)58-54(48)52(46)57/h1-35H.
What are the key properties of N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline?
N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline has a molecular weight of 741.89 g/mol, XLogP of 14.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline is sourced from PubChem (CID 121286448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).