N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine

C57H37NO — CID 129230904

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(C2(c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4oc5cccc2c5c34)cc1
InChIInChI=1S/C57H37NO/c1-2-16-43(17-3-1)57(50-21-10-24-53-55(50)56-51(57)22-11-25-54(56)59-53)44-32-26-38(27-33-44)39-28-34-45(35-29-39)58(52-23-9-15-41-13-5-7-19-49(41)52)46-36-30-42(31-37-46)48-20-8-14-40-12-4-6-18-47(40)48/h1-37H
InChIKeyQAHKLYQIEHZZIO-UHFFFAOYSA-N
MW751.93 g/mol
LogP15.39
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 129230904) has the molecular formula C57H37NO and a molecular weight of 751.93 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine
PubChem CID129230904
Molecular FormulaC57H37NO
Molecular Weight751.93 g/mol
Exact Mass751.29
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(C2(c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4oc5cccc2c5c34)cc1
InChIInChI=1S/C57H37NO/c1-2-16-43(17-3-1)57(50-21-10-24-53-55(50)56-51(57)22-11-25-54(56)59-53)44-32-26-38(27-33-44)39-28-34-45(35-29-39)58(52-23-9-15-41-13-5-7-19-49(41)52)46-36-30-42(31-37-46)48-20-8-14-40-12-4-6-18-47(40)48/h1-37H
InChIKeyQAHKLYQIEHZZIO-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine with MolForge

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Related Compounds

N,N-diphenyl-3-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)aniline;N-naphthalen-1-yl-N-[4-[3-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine;N-[4-[3-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenyl-3-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)-N-(4-phenylphenyl)aniline
CID 159149714
N-(4-naphthalen-1-ylphenyl)-N-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]naphthalen-1-amine
CID 129230919
N-(2-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 157325152
N,N-bis(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]naphthalen-1-amine
CID 157395516
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 142481230
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110
N-(4-naphthalen-1-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022149
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022316
N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 159324099

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine (CID 129230904) is N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine is c1ccc(C2(c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4oc5cccc2c5c34)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is QAHKLYQIEHZZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO/c1-2-16-43(17-3-1)57(50-21-10-24-53-55(50)56-51(57)22-11-25-54(56)59-53)44-32-26-38(27-33-44)39-28-34-45(35-29-39)58(52-23-9-15-41-13-5-7-19-49(41)52)46-36-30-42(31-37-46)48-20-8-14-40-12-4-6-18-47(40)48/h1-37H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 751.93 g/mol, XLogP of 15.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 129230904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).