N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine

C254H168N8O2S2 — CID 160849925

About N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine

N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine (PubChem CID 160849925) has the molecular formula C254H168N8O2S2 and a molecular weight of 3428.33 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
• PubChem CID: 160849925
• Molecular Formula: C254H168N8O2S2
• Molecular Weight: 3428.33 g/mol
• Exact Mass: 3425.27
• IUPAC Name: N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cccc7c6oc6ccccc67)cc5)ccc43)cc2)cc1
• InChI: InChI=1S/C66H44N2O.2C66H44N2S.C56H36N2O/c1-3-11-45(12-4-1)47-19-21-48(22-20-47)50-23-33-55(34-24-50)67(57-37-29-52(30-38-57)54-32-42-66-62(44-54)60-16-8-10-18-65(60)69-66)56-35-27-51(28-36-56)53-31-41-64-61(43-53)59-15-7-9-17-63(59)68(64)58-39-25-49(26-40-58)46-13-5-2-6-14-46;1-3-12-45(13-4-1)47-22-24-48(25-23-47)50-26-35-54(36-27-50)67(56-41-32-52(33-42-56)58-18-11-19-61-60-17-8-10-21-65(60)69-66(58)61)55-37-30-51(31-38-55)53-34-43-64-62(44-53)59-16-7-9-20-63(59)68(64)57-39-28-49(29-40-57)46-14-5-2-6-15-46;1-3-11-45(12-4-1)47-19-21-48(22-20-47)50-23-33-55(34-24-50)67(57-37-29-52(30-38-57)54-32-42-66-62(44-54)60-16-8-10-18-65(60)69-66)56-35-27-51(28-36-56)53-31-41-64-61(43-53)59-15-7-9-17-63(59)68(64)58-39-25-49(26-40-58)46-13-5-2-6-14-46;1-2-13-37(14-3-1)38-25-30-42(31-26-38)57-51-22-10-8-19-47(51)50-35-40(29-34-52(50)57)39-27-32-43(33-28-39)58(53-23-12-21-49-48-20-9-11-24-55(48)59-56(49)53)54-36-41-15-4-5-16-44(41)45-17-6-7-18-46(45)54/h3*1-44H;1-36H
• InChIKey: SJCYMDBQXQSVFF-UHFFFAOYSA-N
• XLogP: 72.19
• TPSA: 58.96 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 33
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3428.33
LogP ≤ 5	72.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?

The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine (CID 160849925) is N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine.

What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?

The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cccc7c6oc6ccccc67)cc5)ccc43)cc2)cc1.

What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?

The InChIKey is SJCYMDBQXQSVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O.2C66H44N2S.C56H36N2O/c1-3-11-45(12-4-1)47-19-21-48(22-20-47)50-23-33-55(34-24-50)67(57-37-29-52(30-38-57)54-32-42-66-62(44-54)60-16-8-10-18-65(60)69-66)56-35-27-51(28-36-56)53-31-41-64-61(43-53)59-15-7-9-17-63(59)68(64)58-39-25-49(26-40-58)46-13-5-2-6-14-46;1-3-12-45(13-4-1)47-22-24-48(25-23-47)50-26-35-54(36-27-50)67(56-41-32-52(33-42-56)58-18-11-19-61-60-17-8-10-21-65(60)69-66(58)61)55-37-30-51(31-38-55)53-34-43-64-62(44-53)59-16-7-9-20-63(59)68(64)57-39-28-49(29-40-57)46-14-5-2-6-15-46;1-3-11-45(12-4-1)47-19-21-48(22-20-47)50-23-33-55(34-24-50)67(57-37-29-52(30-38-57)54-32-42-66-62(44-54)60-16-8-10-18-65(60)69-66)56-35-27-51(28-36-56)53-31-41-64-61(43-53)59-15-7-9-17-63(59)68(64)58-39-25-49(26-40-58)46-13-5-2-6-14-46;1-2-13-37(14-3-1)38-25-30-42(31-26-38)57-51-22-10-8-19-47(51)50-35-40(29-34-52(50)57)39-27-32-43(33-28-39)58(53-23-12-21-49-48-20-9-11-24-55(48)59-56(49)53)54-36-41-15-4-5-16-44(41)45-17-6-7-18-46(45)54/h3*1-44H;1-36H.

What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?

N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine has a molecular weight of 3428.33 g/mol, XLogP of 72.19, 33 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 160849925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).