N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine

C154H114N4O — CID 162194632

About N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 162194632) has the molecular formula C154H114N4O and a molecular weight of 2036.63 g/mol. Its IUPAC name is N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 162194632
• Molecular Formula: C154H114N4O
• Molecular Weight: 2036.63 g/mol
• Exact Mass: 2034.90
• IUPAC Name: N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5oc5ccccc56)c5c4-c4ccccc4C5(C)C)cc3)cc21
• InChI: InChI=1S/C82H60N2.C72H54N2O/c1-81(2)75-37-21-18-35-71(75)72-53-52-68(55-77(72)81)83(65-46-40-59(41-47-65)57-24-8-3-9-25-57)66-50-44-62(45-51-66)74-54-69(56-78-80(74)73-36-19-22-38-76(73)82(78,63-30-14-6-15-31-63)64-32-16-7-17-33-64)84(67-48-42-60(43-49-67)58-26-10-4-11-27-58)79-39-23-20-34-70(79)61-28-12-5-13-29-61;1-71(2)62-26-14-11-22-57(62)58-43-42-55(46-64(58)71)73(52-36-30-49(31-37-52)47-18-7-5-8-19-47)53-40-34-51(35-41-53)56-44-45-65(69-68(56)61-24-12-15-27-63(61)72(69,3)4)74(54-38-32-50(33-39-54)48-20-9-6-10-21-48)66-28-17-25-60-59-23-13-16-29-67(59)75-70(60)66/h3-56H,1-2H3;5-46H,1-4H3
• InChIKey: ZQTWFOPYZZBLOO-UHFFFAOYSA-N
• XLogP: 42.10
• TPSA: 26.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2036.63
LogP ≤ 5	42.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine (CID 162194632) is N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5oc5ccccc56)c5c4-c4ccccc4C5(C)C)cc3)cc21.

What is the InChIKey of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is ZQTWFOPYZZBLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H60N2.C72H54N2O/c1-81(2)75-37-21-18-35-71(75)72-53-52-68(55-77(72)81)83(65-46-40-59(41-47-65)57-24-8-3-9-25-57)66-50-44-62(45-51-66)74-54-69(56-78-80(74)73-36-19-22-38-76(73)82(78,63-30-14-6-15-31-63)64-32-16-7-17-33-64)84(67-48-42-60(43-49-67)58-26-10-4-11-27-58)79-39-23-20-34-70(79)61-28-12-5-13-29-61;1-71(2)62-26-14-11-22-57(62)58-43-42-55(46-64(58)71)73(52-36-30-49(31-37-52)47-18-7-5-8-19-47)53-40-34-51(35-41-53)56-44-45-65(69-68(56)61-24-12-15-27-63(61)72(69,3)4)74(54-38-32-50(33-39-54)48-20-9-6-10-21-48)66-28-17-25-60-59-23-13-16-29-67(59)75-70(60)66/h3-56H,1-2H3;5-46H,1-4H3.

What are the key properties of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 2036.63 g/mol, XLogP of 42.10, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-dimethylfluoren-1-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine;4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 162194632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).