N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine

C126H108B3N3O6S3 — CID 158797496

IUPACN,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)OB(c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc4c3sc3ccccc34)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc4c3sc3ccccc34)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)cc4c3sc3ccccc34)cc2)OC1(C)C
InChIInChI=1S/C48H40BNO2S.C42H36BNO2S.C36H32BNO2S/c1-47(2)48(3,4)52-49(51-47)38-26-22-36(23-27-38)43-31-41(32-44-42-20-11-12-21-45(42)53-46(43)44)50(39-28-24-35(25-29-39)33-14-7-5-8-15-33)40-19-13-18-37(30-40)34-16-9-6-10-17-34;1-41(2)42(3,4)46-43(45-41)32-23-19-31(20-24-32)37-27-35(28-38-36-17-11-12-18-39(36)47-40(37)38)44(33-15-9-6-10-16-33)34-25-21-30(22-26-34)29-13-7-5-8-14-29;1-35(2)36(3,4)40-37(39-35)26-21-19-25(20-22-26)31-23-29(24-32-30-17-11-12-18-33(30)41-34(31)32)38(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-32H,1-4H3;5-28H,1-4H3;5-24H,1-4H3
InChIKeyITAUBLCSSMCSTM-UHFFFAOYSA-N
MW1888.90 g/mol
LogP33.47
Rot. Bonds18

About N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine

N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 158797496) has the molecular formula C126H108B3N3O6S3 and a molecular weight of 1888.90 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine
PubChem CID158797496
Molecular FormulaC126H108B3N3O6S3
Molecular Weight1888.90 g/mol
Exact Mass1887.77
IUPAC NameN,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)OB(c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc4c3sc3ccccc34)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc4c3sc3ccccc34)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)cc4c3sc3ccccc34)cc2)OC1(C)C
InChIInChI=1S/C48H40BNO2S.C42H36BNO2S.C36H32BNO2S/c1-47(2)48(3,4)52-49(51-47)38-26-22-36(23-27-38)43-31-41(32-44-42-20-11-12-21-45(42)53-46(43)44)50(39-28-24-35(25-29-39)33-14-7-5-8-15-33)40-19-13-18-37(30-40)34-16-9-6-10-17-34;1-41(2)42(3,4)46-43(45-41)32-23-19-31(20-24-32)37-27-35(28-38-36-17-11-12-18-39(36)47-40(37)38)44(33-15-9-6-10-16-33)34-25-21-30(22-26-34)29-13-7-5-8-14-29;1-35(2)36(3,4)40-37(39-35)26-21-19-25(20-22-26)31-23-29(24-32-30-17-11-12-18-33(30)41-34(31)32)38(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-32H,1-4H3;5-28H,1-4H3;5-24H,1-4H3
InChIKeyITAUBLCSSMCSTM-UHFFFAOYSA-N
XLogP33.47
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001888.90
LogP ≤ 533.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine with MolForge

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Related Compounds

N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine
CID 153498000
N-dibenzothiophen-2-yl-N-phenyl-4-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-yl]dibenzothiophen-2-amine
CID 153498024
N,N-diphenyl-4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-amine;N,N-diphenyl-4-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-amine;N-phenyl-N-[4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]pyridin-4-amine
CID 158219688
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
4-[4-[2-(N-phenanthren-9-ylanilino)dibenzothiophen-4-yl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 146638922
N-phenyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine
CID 170899947
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-diamine
CID 142710260
N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 140919502
N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline
CID 140919485
N,N-diphenyl-10-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphtho[1,2-b][1]benzothiol-8-amine
CID 149232661
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 171736781
N-(4-naphthalen-1-ylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-4-amine
CID 150505924

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine (CID 158797496) is N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine is CC1(C)OB(c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc4c3sc3ccccc34)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc4c3sc3ccccc34)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)cc4c3sc3ccccc34)cc2)OC1(C)C.
What is the InChIKey of N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is ITAUBLCSSMCSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40BNO2S.C42H36BNO2S.C36H32BNO2S/c1-47(2)48(3,4)52-49(51-47)38-26-22-36(23-27-38)43-31-41(32-44-42-20-11-12-21-45(42)53-46(43)44)50(39-28-24-35(25-29-39)33-14-7-5-8-15-33)40-19-13-18-37(30-40)34-16-9-6-10-17-34;1-41(2)42(3,4)46-43(45-41)32-23-19-31(20-24-32)37-27-35(28-38-36-17-11-12-18-39(36)47-40(37)38)44(33-15-9-6-10-16-33)34-25-21-30(22-26-34)29-13-7-5-8-14-29;1-35(2)36(3,4)40-37(39-35)26-21-19-25(20-22-26)31-23-29(24-32-30-17-11-12-18-33(30)41-34(31)32)38(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-32H,1-4H3;5-28H,1-4H3;5-24H,1-4H3.
What are the key properties of N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine?
N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 1888.90 g/mol, XLogP of 33.47, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-(4-phenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 158797496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).