N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine

C52H35NO2 — CID 166986527

IUPACN-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)Oc4cccc6cccc(c46)O5)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C52H35NO2/c1-4-12-36(13-5-1)38-22-24-39(25-23-38)40-26-29-44(30-27-40)53(47-32-28-43(37-14-6-2-7-15-37)34-46(47)41-16-8-3-9-17-41)45-31-33-48-51(35-45)55-50-21-11-19-42-18-10-20-49(54-48)52(42)50/h1-35H
InChIKeyLTSDFQCVDAZTJK-UHFFFAOYSA-N
MW705.86 g/mol
LogP14.88
Rot. Bonds7

About N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine

N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine (PubChem CID 166986527) has the molecular formula C52H35NO2 and a molecular weight of 705.86 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine
PubChem CID166986527
Molecular FormulaC52H35NO2
Molecular Weight705.86 g/mol
Exact Mass705.27
IUPAC NameN-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)Oc4cccc6cccc(c46)O5)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C52H35NO2/c1-4-12-36(13-5-1)38-22-24-39(25-23-38)40-26-29-44(30-27-40)53(47-32-28-43(37-14-6-2-7-15-37)34-46(47)41-16-8-3-9-17-41)45-31-33-48-51(35-45)55-50-21-11-19-42-18-10-20-49(54-48)52(42)50/h1-35H
InChIKeyLTSDFQCVDAZTJK-UHFFFAOYSA-N
XLogP14.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine with MolForge

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Related Compounds

N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine
CID 166986775
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
5-N,12-N-diphenyl-5-N,12-N-bis(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10(18),11,13,15-octaene-5,12-diamine
CID 166986850
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107
N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166986678
N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166986543
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155122949
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
2,4-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)aniline;3,4-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 159965840

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine (CID 166986527) is N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)Oc4cccc6cccc(c46)O5)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine?
The InChIKey is LTSDFQCVDAZTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO2/c1-4-12-36(13-5-1)38-22-24-39(25-23-38)40-26-29-44(30-27-40)53(47-32-28-43(37-14-6-2-7-15-37)34-46(47)41-16-8-3-9-17-41)45-31-33-48-51(35-45)55-50-21-11-19-42-18-10-20-49(54-48)52(42)50/h1-35H.
What are the key properties of N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine?
N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine has a molecular weight of 705.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine is sourced from PubChem (CID 166986527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).