2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine

C48H32N2S — CID 146576040

IUPAC2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)ccc4c3c2)cc1
InChIInChI=1S/C48H32N2S/c1-4-14-33(15-5-1)49(34-16-6-2-7-17-34)37-26-29-47-46(31-37)44-28-25-38(32-48(44)51-47)50(35-18-8-3-9-19-35)36-24-27-43-41-22-11-10-20-39(41)40-21-12-13-23-42(40)45(43)30-36/h1-32H
InChIKeyDOWYIKKCZLJDBL-UHFFFAOYSA-N
MW668.87 g/mol
LogP14.45
Rot. Bonds6

About 2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine

2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine (PubChem CID 146576040) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is 2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
PubChem CID146576040
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC Name2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)ccc4c3c2)cc1
InChIInChI=1S/C48H32N2S/c1-4-14-33(15-5-1)49(34-16-6-2-7-17-34)37-26-29-47-46(31-37)44-28-25-38(32-48(44)51-47)50(35-18-8-3-9-19-35)36-24-27-43-41-22-11-10-20-39(41)40-21-12-13-23-42(40)45(43)30-36/h1-32H
InChIKeyDOWYIKKCZLJDBL-UHFFFAOYSA-N
XLogP14.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine 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

2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(37),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28(36),29,31,33-octadecaen-5-amine
CID 130465151
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine
CID 159001337
7-N-(7-methyldibenzothiophen-2-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 139422457
N-dibenzothiophen-3-yl-N-phenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-amine
CID 162475544
4-N,4-N-di(dibenzothiophen-2-yl)-1-N-phenyl-1-N-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)benzene-1,4-diamine
CID 163470739
7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
CID 170039484
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine
CID 118214718

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine (CID 146576040) is 2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine is c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)ccc4c3c2)cc1.
What is the InChIKey of 2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine?
The InChIKey is DOWYIKKCZLJDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-4-14-33(15-5-1)49(34-16-6-2-7-17-34)37-26-29-47-46(31-37)44-28-25-38(32-48(44)51-47)50(35-18-8-3-9-19-35)36-24-27-43-41-22-11-10-20-39(41)40-21-12-13-23-42(40)45(43)30-36/h1-32H.
What are the key properties of 2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine?
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine has a molecular weight of 668.87 g/mol, XLogP of 14.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine is sourced from PubChem (CID 146576040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).