3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline

C150H100N4O2 — CID 161194033

About 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline

3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline (PubChem CID 161194033) has the molecular formula C150H100N4O2 and a molecular weight of 1990.48 g/mol. Its IUPAC name is 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline.

Molecular Properties

• Compound Name: 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline
• PubChem CID: 161194033
• Molecular Formula: C150H100N4O2
• Molecular Weight: 1990.48 g/mol
• Exact Mass: 1988.78
• IUPAC Name: 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6cccc(-c7cccc(N(c8ccccc8)c8cccc(-c9ccccc9)c8)c7)c6)cc(-c6ccc7oc8ccccc8c7c6)c5)cc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(-c6ccc7c8ccccc8n(-c8ccc(-c9ccccc9)cc8)c7c6)c5)c4)c3)cc2)cc1
• InChI: InChI=1S/C78H52N2O.C72H48N2O/c1-4-16-53(17-5-1)56-30-38-67(39-31-56)79(68-40-32-57(33-41-68)54-18-6-2-7-19-54)70-25-15-24-61(50-70)59-22-14-23-60(46-59)64-47-65(62-37-45-78-74(51-62)73-27-11-13-29-77(73)81-78)49-66(48-64)63-36-44-72-71-26-10-12-28-75(71)80(76(72)52-63)69-42-34-58(35-43-69)55-20-8-3-9-21-55;1-4-17-49(18-5-1)51-33-37-62(38-34-51)74-69-31-12-10-29-65(69)66-39-35-57(48-70(66)74)60-43-58(42-59(44-60)56-36-40-72-68(47-56)67-30-11-13-32-71(67)75-72)53-22-14-21-52(41-53)55-24-16-28-64(46-55)73(61-25-8-3-9-26-61)63-27-15-23-54(45-63)50-19-6-2-7-20-50/h1-52H;1-48H
• InChIKey: UUCKTOJAZWOMNW-UHFFFAOYSA-N
• XLogP: 41.98
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1990.48
LogP ≤ 5	41.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline?

The IUPAC name of 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline (CID 161194033) is 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline.

What is the SMILES notation for 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline?

The canonical SMILES for 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6cccc(-c7cccc(N(c8ccccc8)c8cccc(-c9ccccc9)c8)c7)c6)cc(-c6ccc7oc8ccccc8c7c6)c5)cc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(-c6ccc7c8ccccc8n(-c8ccc(-c9ccccc9)cc8)c7c6)c5)c4)c3)cc2)cc1.

What is the InChIKey of 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline?

The InChIKey is UUCKTOJAZWOMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N2O.C72H48N2O/c1-4-16-53(17-5-1)56-30-38-67(39-31-56)79(68-40-32-57(33-41-68)54-18-6-2-7-19-54)70-25-15-24-61(50-70)59-22-14-23-60(46-59)64-47-65(62-37-45-78-74(51-62)73-27-11-13-29-77(73)81-78)49-66(48-64)63-36-44-72-71-26-10-12-28-75(71)80(76(72)52-63)69-42-34-58(35-43-69)55-20-8-3-9-21-55;1-4-17-49(18-5-1)51-33-37-62(38-34-51)74-69-31-12-10-29-65(69)66-39-35-57(48-70(66)74)60-43-58(42-59(44-60)56-36-40-72-68(47-56)67-30-11-13-32-71(67)75-72)53-22-14-21-52(41-53)55-24-16-28-64(46-55)73(61-25-8-3-9-26-61)63-27-15-23-54(45-63)50-19-6-2-7-20-50/h1-52H;1-48H.

What are the key properties of 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline?

3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline has a molecular weight of 1990.48 g/mol, XLogP of 41.98, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline is sourced from PubChem (CID 161194033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).