N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine

C54H35N3Se — CID 171416696

IUPACN,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cc4c5cccc6[se]c7cc(N(c8ccccc8)c8ccccc8)cc(c7c65)n5c6ccccc6c(c3)c45)c2)cc1
InChIInChI=1S/C54H35N3Se/c1-5-18-38(19-6-1)55(39-20-7-2-8-21-39)42-26-15-17-36(31-42)37-32-46-44-27-13-14-29-48(44)57-49-34-43(56(40-22-9-3-10-23-40)41-24-11-4-12-25-41)35-51-53(49)52-45(47(33-37)54(46)57)28-16-30-50(52)58-51/h1-35H
InChIKeyYXMPNRSDGJLIGA-UHFFFAOYSA-N
MW804.86 g/mol
LogP14.81
Rot. Bonds7

About N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine

N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine (PubChem CID 171416696) has the molecular formula C54H35N3Se and a molecular weight of 804.86 g/mol. Its IUPAC name is N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine.

Molecular Properties

Compound NameN,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
PubChem CID171416696
Molecular FormulaC54H35N3Se
Molecular Weight804.86 g/mol
Exact Mass805.20
IUPAC NameN,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cc4c5cccc6[se]c7cc(N(c8ccccc8)c8ccccc8)cc(c7c65)n5c6ccccc6c(c3)c45)c2)cc1
InChIInChI=1S/C54H35N3Se/c1-5-18-38(19-6-1)55(39-20-7-2-8-21-39)42-26-15-17-36(31-42)37-32-46-44-27-13-14-29-48(44)57-49-34-43(56(40-22-9-3-10-23-40)41-24-11-4-12-25-41)35-51-53(49)52-45(47(33-37)54(46)57)28-16-30-50(52)58-51/h1-35H
InChIKeyYXMPNRSDGJLIGA-UHFFFAOYSA-N
XLogP14.81
TPSA10.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.86
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-amine
CID 171416699
N-dibenzofuran-2-yl-N-(3-phenylphenyl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
CID 171416797
N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
CID 171416682
3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 138747385
3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine
CID 171416671
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 71251507
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine
CID 118179927
N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline
CID 126577865
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 123734450
3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine
CID 171416752
3-[4-[3-[3-[3-[9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-N-[4-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline
CID 129275627
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane
CID 144521052

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine?
The IUPAC name of N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine (CID 171416696) is N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine.
What is the SMILES notation for N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine?
The canonical SMILES for N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine is c1ccc(N(c2ccccc2)c2cccc(-c3cc4c5cccc6[se]c7cc(N(c8ccccc8)c8ccccc8)cc(c7c65)n5c6ccccc6c(c3)c45)c2)cc1.
What is the InChIKey of N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine?
The InChIKey is YXMPNRSDGJLIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3Se/c1-5-18-38(19-6-1)55(39-20-7-2-8-21-39)42-26-15-17-36(31-42)37-32-46-44-27-13-14-29-48(44)57-49-34-43(56(40-22-9-3-10-23-40)41-24-11-4-12-25-41)35-51-53(49)52-45(47(33-37)54(46)57)28-16-30-50(52)58-51/h1-35H.
What are the key properties of N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine?
N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine has a molecular weight of 804.86 g/mol, XLogP of 14.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine is sourced from PubChem (CID 171416696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).