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

C125H101B3N4O6S6 — CID 158219688

About 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

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 (PubChem CID 158219688) has the molecular formula C125H101B3N4O6S6 and a molecular weight of 1980.04 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158219688
• Molecular Formula: C125H101B3N4O6S6
• Molecular Weight: 1980.04 g/mol
• Exact Mass: 1978.63
• IUPAC Name: 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
• SMILES: CC1(C)OB(c2ccc3c(c2)sc2cc(-c4cc(N(c5ccccc5)c5ccccc5)cc5c4sc4ccccc45)ccc23)OC1(C)C.CC1(C)OB(c2ccc3c(c2)sc2cc(-c4cc(N(c5ccccc5)c5ccncc5)cc5c4sc4ccccc45)ccc23)OC1(C)C.CC1(C)OB(c2ccc3sc4cc(-c5cc(N(c6ccccc6)c6ccccc6)cc6c5sc5ccccc56)ccc4c3c2)OC1(C)C
• InChI: InChI=1S/2C42H34BNO2S2.C41H33BN2O2S2/c1-41(2)42(3,4)46-43(45-41)28-20-22-38-35(24-28)33-21-19-27(23-39(33)47-38)34-25-31(26-36-32-17-11-12-18-37(32)48-40(34)36)44(29-13-7-5-8-14-29)30-15-9-6-10-16-30;1-41(2)42(3,4)46-43(45-41)28-20-22-34-33-21-19-27(23-38(33)47-39(34)24-28)35-25-31(26-36-32-17-11-12-18-37(32)48-40(35)36)44(29-13-7-5-8-14-29)30-15-9-6-10-16-30;1-40(2)41(3,4)46-42(45-40)27-15-17-33-32-16-14-26(22-37(32)47-38(33)23-27)34-24-30(25-35-31-12-8-9-13-36(31)48-39(34)35)44(28-10-6-5-7-11-28)29-18-20-43-21-19-29/h2*5-26H,1-4H3;5-25H,1-4H3
• InChIKey: GDCBBXSWFAWBDR-UHFFFAOYSA-N
• XLogP: 34.97
• TPSA: 77.99 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1980.04
LogP ≤ 5	34.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)OB(c2ccc3c(c2)sc2cc(-c4cc(N(c5ccccc5)c5ccccc5)cc5c4sc4ccccc45)ccc23)OC1(C)C.CC1(C)OB(c2ccc3c(c2)sc2cc(-c4cc(N(c5ccccc5)c5ccncc5)cc5c4sc4ccccc45)ccc23)OC1(C)C.CC1(C)OB(c2ccc3sc4cc(-c5cc(N(c6ccccc6)c6ccccc6)cc6c5sc5ccccc56)ccc4c3c2)OC1(C)C.

What is the InChIKey of 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?

The InChIKey is GDCBBXSWFAWBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H34BNO2S2.C41H33BN2O2S2/c1-41(2)42(3,4)46-43(45-41)28-20-22-38-35(24-28)33-21-19-27(23-39(33)47-38)34-25-31(26-36-32-17-11-12-18-37(32)48-40(34)36)44(29-13-7-5-8-14-29)30-15-9-6-10-16-30;1-41(2)42(3,4)46-43(45-41)28-20-22-34-33-21-19-27(23-38(33)47-39(34)24-28)35-25-31(26-36-32-17-11-12-18-37(32)48-40(35)36)44(29-13-7-5-8-14-29)30-15-9-6-10-16-30;1-40(2)41(3,4)46-42(45-40)27-15-17-33-32-16-14-26(22-37(32)47-38(33)23-27)34-24-30(25-35-31-12-8-9-13-36(31)48-39(34)35)44(28-10-6-5-7-11-28)29-18-20-43-21-19-29/h2*5-26H,1-4H3;5-25H,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 1980.04 g/mol, XLogP of 34.97, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158219688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).