N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine

C54H39NS — CID 142406033

IUPACN,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine
SMILESC1=Cc2c(sc3c(-c4ccc(-c5ccccc5)cc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc23)CC1
InChIInChI=1S/C54H39NS/c1-4-12-38(13-5-1)41-20-22-43(23-21-41)45-30-34-48(35-31-45)55(47-32-28-44(29-33-47)40-16-8-3-9-17-40)51-37-36-50-49-18-10-11-19-52(49)56-54(50)53(51)46-26-24-42(25-27-46)39-14-6-2-7-15-39/h1-10,12-18,20-37H,11,19H2
InChIKeyWPSQUYONILONMV-UHFFFAOYSA-N
MW733.98 g/mol
LogP15.67
Rot. Bonds8

About N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine

N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine (PubChem CID 142406033) has the molecular formula C54H39NS and a molecular weight of 733.98 g/mol. Its IUPAC name is N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine.

Molecular Properties

Compound NameN,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine
PubChem CID142406033
Molecular FormulaC54H39NS
Molecular Weight733.98 g/mol
Exact Mass733.28
IUPAC NameN,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine
SMILESC1=Cc2c(sc3c(-c4ccc(-c5ccccc5)cc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc23)CC1
InChIInChI=1S/C54H39NS/c1-4-12-38(13-5-1)41-20-22-43(23-21-41)45-30-34-48(35-31-45)55(47-32-28-44(29-33-47)40-16-8-3-9-17-40)51-37-36-50-49-18-10-11-19-52(49)56-54(50)53(51)46-26-24-42(25-27-46)39-14-6-2-7-15-39/h1-10,12-18,20-37H,11,19H2
InChIKeyWPSQUYONILONMV-UHFFFAOYSA-N
XLogP15.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.98
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine;ethane
CID 142406196
N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 131994040
7-phenyl-3,4-dihydrodibenzothiophene
CID 167310595
N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 174180887
3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline
CID 163478286
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine
CID 167007574
5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 144884862
N-naphthalen-2-yl-19-phenyl-N-(4-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433554
N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277433
16-phenyl-N,N-bis(4-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
CID 171433251
N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine
CID 142406198
5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 123696000

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine?
The IUPAC name of N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine (CID 142406033) is N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine.
What is the SMILES notation for N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine?
The canonical SMILES for N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine is C1=Cc2c(sc3c(-c4ccc(-c5ccccc5)cc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc23)CC1.
What is the InChIKey of N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine?
The InChIKey is WPSQUYONILONMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NS/c1-4-12-38(13-5-1)41-20-22-43(23-21-41)45-30-34-48(35-31-45)55(47-32-28-44(29-33-47)40-16-8-3-9-17-40)51-37-36-50-49-18-10-11-19-52(49)56-54(50)53(51)46-26-24-42(25-27-46)39-14-6-2-7-15-39/h1-10,12-18,20-37H,11,19H2.
What are the key properties of N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine?
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine has a molecular weight of 733.98 g/mol, XLogP of 15.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine is sourced from PubChem (CID 142406033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).