N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C59H40N2O — CID 71023378

IUPACN-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4cocc4C6(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C59H40N2O/c1-5-14-41(15-6-1)43-24-31-49(32-25-43)60(50-33-26-44(27-34-50)42-16-7-2-8-17-42)51-35-28-45(29-36-51)46-30-37-56-53(38-46)52-22-13-23-54-58(52)61(56)57-40-62-39-55(57)59(54,47-18-9-3-10-19-47)48-20-11-4-12-21-48/h1-40H
InChIKeyUXGJKNIFWKEKDE-UHFFFAOYSA-N
MW792.98 g/mol
LogP15.54
Rot. Bonds8

About N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 71023378) has the molecular formula C59H40N2O and a molecular weight of 792.98 g/mol. Its IUPAC name is N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID71023378
Molecular FormulaC59H40N2O
Molecular Weight792.98 g/mol
Exact Mass792.31
IUPAC NameN-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4cocc4C6(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C59H40N2O/c1-5-14-41(15-6-1)43-24-31-49(32-25-43)60(50-33-26-44(27-34-50)42-16-7-2-8-17-42)51-35-28-45(29-36-51)46-30-37-56-53(38-46)52-22-13-23-54-58(52)61(56)57-40-62-39-55(57)59(54,47-18-9-3-10-19-47)48-20-11-4-12-21-48/h1-40H
InChIKeyUXGJKNIFWKEKDE-UHFFFAOYSA-N
XLogP15.54
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.98
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445356
N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121386045
4-(4,7-dioxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)-N,N-diphenylaniline
CID 71023238
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
9-naphthalen-1-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334261
N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122414007
N-[4-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(12,12-diphenyl-1-azahexacyclo[11.10.1.02,11.04,9.017,24.018,23]tetracosa-2,4,6,8,10,13,15,17(24),18(23),19,21-undecaen-20-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 161236872
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
CID 135168391
10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]-2'-amine
CID 135140047
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
26,26-diphenyl-N,N-bis(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
CID 169023199
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 71023378) is N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4cocc4C6(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is UXGJKNIFWKEKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O/c1-5-14-41(15-6-1)43-24-31-49(32-25-43)60(50-33-26-44(27-34-50)42-16-7-2-8-17-42)51-35-28-45(29-36-51)46-30-37-56-53(38-46)52-22-13-23-54-58(52)61(56)57-40-62-39-55(57)59(54,47-18-9-3-10-19-47)48-20-11-4-12-21-48/h1-40H.
What are the key properties of N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 792.98 g/mol, XLogP of 15.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 71023378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).