N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine

C48H33NSSi — CID 153221208

IUPACN,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)[Si]3(c5ccccc5S4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C48H33NSSi/c1-3-13-34(14-4-1)36-23-27-38(28-24-36)49(39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-44-48(33-40)51(47-22-12-9-19-43(47)50-44)45-20-10-7-17-41(45)42-18-8-11-21-46(42)51/h1-33H
InChIKeyWNRWDIZPDVPQPL-UHFFFAOYSA-N
MW683.95 g/mol
LogP10.31
Rot. Bonds5

About N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine

N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine (PubChem CID 153221208) has the molecular formula C48H33NSSi and a molecular weight of 683.95 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine
PubChem CID153221208
Molecular FormulaC48H33NSSi
Molecular Weight683.95 g/mol
Exact Mass683.21
IUPAC NameN,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)[Si]3(c5ccccc5S4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C48H33NSSi/c1-3-13-34(14-4-1)36-23-27-38(28-24-36)49(39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-44-48(33-40)51(47-22-12-9-19-43(47)50-44)45-20-10-7-17-41(45)42-18-8-11-21-46(42)51/h1-33H
InChIKeyWNRWDIZPDVPQPL-UHFFFAOYSA-N
XLogP10.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.95
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine
CID 149430365
N-phenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-amine
CID 148832286
N-(4-naphthalen-1-ylphenyl)-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine
CID 148835041
N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025194
N-phenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,10'-benzo[b][1,4]benzoxasiline]-2'-amine
CID 149114646
N-(4-dibenzothiophen-4-ylphenyl)-N-phenylspiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-amine
CID 147293556
N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine
CID 147492660
N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-2-yl)phenyl]-N,4-diphenylaniline
CID 123177063
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole
CID 153173688
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine
CID 147100585

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine (CID 153221208) is N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)[Si]3(c5ccccc5S4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine?
The InChIKey is WNRWDIZPDVPQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NSSi/c1-3-13-34(14-4-1)36-23-27-38(28-24-36)49(39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-44-48(33-40)51(47-22-12-9-19-43(47)50-44)45-20-10-7-17-41(45)42-18-8-11-21-46(42)51/h1-33H.
What are the key properties of N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine?
N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine has a molecular weight of 683.95 g/mol, XLogP of 10.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine is sourced from PubChem (CID 153221208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).