10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine

C50H33N3S — CID 90125614

IUPAC10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3ccc4cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc5c4c3c(c2)n5-c2ccccc2)cc1
InChIInChI=1S/C50H33N3S/c1-5-15-36(16-6-1)51(37-17-7-2-8-18-37)41-29-34-25-26-35-30-42(32-46-50(35)49(34)45(31-41)53(46)39-21-11-4-12-22-39)52(38-19-9-3-10-20-38)40-27-28-44-43-23-13-14-24-47(43)54-48(44)33-40/h1-33H
InChIKeyICAKKXCXEQHLJJ-UHFFFAOYSA-N
MW707.90 g/mol
LogP14.68
Rot. Bonds7

About 10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine

10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine (PubChem CID 90125614) has the molecular formula C50H33N3S and a molecular weight of 707.90 g/mol. Its IUPAC name is 10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine.

Molecular Properties

Compound Name10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
PubChem CID90125614
Molecular FormulaC50H33N3S
Molecular Weight707.90 g/mol
Exact Mass707.24
IUPAC Name10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3ccc4cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc5c4c3c(c2)n5-c2ccccc2)cc1
InChIInChI=1S/C50H33N3S/c1-5-15-36(16-6-1)51(37-17-7-2-8-18-37)41-29-34-25-26-35-30-42(32-46-50(35)49(34)45(31-41)53(46)39-21-11-4-12-22-39)52(38-19-9-3-10-20-38)40-27-28-44-43-23-13-14-24-47(43)54-48(44)33-40/h1-33H
InChIKeyICAKKXCXEQHLJJ-UHFFFAOYSA-N
XLogP14.68
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.90
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine with MolForge

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Related Compounds

2-N,8-N-diphenyl-2-N,8-N-bis(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)dibenzothiophene-2,8-diamine
CID 90249633
N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-dibenzothiophen-3-yldibenzothiophen-3-amine
CID 126683194
2-N-dibenzothiophen-3-yl-2-N,7-N,7-N-triphenylphenanthrene-2,7-diamine
CID 170410437
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine
CID 139573298
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 90050804
N-chrysen-3-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138584
2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965730
N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
CID 90050702
N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033935
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-dibenzothiophen-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847666
5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588764

Frequently Asked Questions

What is the IUPAC name of 10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?
The IUPAC name of 10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine (CID 90125614) is 10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine.
What is the SMILES notation for 10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?
The canonical SMILES for 10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine is c1ccc(N(c2ccccc2)c2cc3ccc4cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc5c4c3c(c2)n5-c2ccccc2)cc1.
What is the InChIKey of 10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?
The InChIKey is ICAKKXCXEQHLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3S/c1-5-15-36(16-6-1)51(37-17-7-2-8-18-37)41-29-34-25-26-35-30-42(32-46-50(35)49(34)45(31-41)53(46)39-21-11-4-12-22-39)52(38-19-9-3-10-20-38)40-27-28-44-43-23-13-14-24-47(43)54-48(44)33-40/h1-33H.
What are the key properties of 10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?
10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine has a molecular weight of 707.90 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine is sourced from PubChem (CID 90125614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).