N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine

C204H128N8O6S2 — CID 165040530

About N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine

N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 165040530) has the molecular formula C204H128N8O6S2 and a molecular weight of 2851.45 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
• PubChem CID: 165040530
• Molecular Formula: C204H128N8O6S2
• Molecular Weight: 2851.45 g/mol
• Exact Mass: 2848.94
• IUPAC Name: N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
• SMILES: c1ccc(-c2cccc3c2oc2c(N(c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c4cccc5c4oc4ccccc45)cccc23)cc1.c1ccc(-c2cccc3c2oc2c(N(c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c4cccc5c4oc4ccccc45)cccc23)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5cccc6c5sc5ccccc56)c5cccc6c5sc5ccccc56)cc4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5cccc6c5oc5ccccc56)c5cccc6oc7ccccc7c56)c4)c32)cc1
• InChI: InChI=1S/2C54H34N2O2.C48H30N2O2.C48H30N2S2/c2*1-3-16-35(17-4-1)40-25-13-27-45-46-29-15-32-49(54(46)58-52(40)45)55(48-31-14-28-44-42-23-8-10-33-50(42)57-53(44)48)38-21-11-18-36(34-38)39-24-12-26-43-41-22-7-9-30-47(41)56(51(39)43)37-19-5-2-6-20-37;1-2-15-32(16-3-1)50-40-24-7-4-18-35(40)37-22-11-21-34(47(37)50)31-14-10-17-33(30-31)49(41-25-13-29-45-46(41)39-20-6-9-28-44(39)51-45)42-26-12-23-38-36-19-5-8-27-43(36)52-48(38)42;1-2-13-32(14-3-1)50-41-22-7-4-15-35(41)38-19-10-18-34(46(38)50)31-27-29-33(30-28-31)49(42-23-11-20-39-36-16-5-8-25-44(36)51-47(39)42)43-24-12-21-40-37-17-6-9-26-45(37)52-48(40)43/h2*1-34H;2*1-30H
• InChIKey: OBAPOBRDBOKMNY-UHFFFAOYSA-N
• XLogP: 59.15
• TPSA: 111.52 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2851.45
LogP ≤ 5	59.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine?

The IUPAC name of N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine (CID 165040530) is N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine.

What is the SMILES notation for N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine?

The canonical SMILES for N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cccc3c2oc2c(N(c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c4cccc5c4oc4ccccc45)cccc23)cc1.c1ccc(-c2cccc3c2oc2c(N(c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c4cccc5c4oc4ccccc45)cccc23)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5cccc6c5sc5ccccc56)c5cccc6c5sc5ccccc56)cc4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5cccc6c5oc5ccccc56)c5cccc6oc7ccccc7c56)c4)c32)cc1.

What is the InChIKey of N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine?

The InChIKey is OBAPOBRDBOKMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H34N2O2.C48H30N2O2.C48H30N2S2/c2*1-3-16-35(17-4-1)40-25-13-27-45-46-29-15-32-49(54(46)58-52(40)45)55(48-31-14-28-44-42-23-8-10-33-50(42)57-53(44)48)38-21-11-18-36(34-38)39-24-12-26-43-41-22-7-9-30-47(41)56(51(39)43)37-19-5-2-6-20-37;1-2-15-32(16-3-1)50-40-24-7-4-18-35(40)37-22-11-21-34(47(37)50)31-14-10-17-33(30-31)49(41-25-13-29-45-46(41)39-20-6-9-28-44(39)51-45)42-26-12-23-38-36-19-5-8-27-43(36)52-48(38)42;1-2-13-32(14-3-1)50-41-22-7-4-15-35(41)38-19-10-18-34(46(38)50)31-27-29-33(30-28-31)49(42-23-11-20-39-36-16-5-8-25-44(36)51-47(39)42)43-24-12-21-40-37-17-6-9-26-45(37)52-48(40)43/h2*1-34H;2*1-30H.

What are the key properties of N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine?

N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 2851.45 g/mol, XLogP of 59.15, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 165040530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).