N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline

C84H60N2S — CID 157402984

IUPACN,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H35N.C36H25NS/c1-4-12-36(13-5-1)39-22-28-46(29-23-39)49(47-30-24-40(25-31-47)44-20-10-18-42(34-44)37-14-6-2-7-15-37)48-32-26-41(27-33-48)45-21-11-19-43(35-45)38-16-8-3-9-17-38;1-3-9-26(10-4-1)28-15-19-30(20-16-28)37(31-21-17-29(18-22-31)27-11-5-2-6-12-27)32-23-24-36-34(25-32)33-13-7-8-14-35(33)38-36/h1-35H;1-25H
InChIKeyBNJRZQYIHSMISB-UHFFFAOYSA-N
MW1129.49 g/mol
LogP24.35
Rot. Bonds13

About N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline

N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 157402984) has the molecular formula C84H60N2S and a molecular weight of 1129.49 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
PubChem CID157402984
Molecular FormulaC84H60N2S
Molecular Weight1129.49 g/mol
Exact Mass1128.45
IUPAC NameN,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H35N.C36H25NS/c1-4-12-36(13-5-1)39-22-28-46(29-23-39)49(47-30-24-40(25-31-47)44-20-10-18-42(34-44)37-14-6-2-7-15-37)48-32-26-41(27-33-48)45-21-11-19-43(35-45)38-16-8-3-9-17-38;1-3-9-26(10-4-1)28-15-19-30(20-16-28)37(31-21-17-29(18-22-31)27-11-5-2-6-12-27)32-23-24-36-34(25-32)33-13-7-8-14-35(33)38-36/h1-35H;1-25H
InChIKeyBNJRZQYIHSMISB-UHFFFAOYSA-N
XLogP24.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.49
LogP ≤ 524.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline with MolForge

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Related Compounds

N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 118405870
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-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166565819

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline (CID 157402984) is N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is BNJRZQYIHSMISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N.C36H25NS/c1-4-12-36(13-5-1)39-22-28-46(29-23-39)49(47-30-24-40(25-31-47)44-20-10-18-42(34-44)37-14-6-2-7-15-37)48-32-26-41(27-33-48)45-21-11-19-43(35-45)38-16-8-3-9-17-38;1-3-9-26(10-4-1)28-15-19-30(20-16-28)37(31-21-17-29(18-22-31)27-11-5-2-6-12-27)32-23-24-36-34(25-32)33-13-7-8-14-35(33)38-36/h1-35H;1-25H.
What are the key properties of N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline?
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 1129.49 g/mol, XLogP of 24.35, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 157402984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).