N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine

C174H119N3O2S3 — CID 163616043

About N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine (PubChem CID 163616043) has the molecular formula C174H119N3O2S3 and a molecular weight of 2380.09 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine
• PubChem CID: 163616043
• Molecular Formula: C174H119N3O2S3
• Molecular Weight: 2380.09 g/mol
• Exact Mass: 2377.85
• IUPAC Name: N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c34)cc21.CC1(C)c2ccccc2-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4sc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c34)c21.c1ccc(-c2cccc(N(c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)c3cccc4c3sc3ccccc34)c2)cc1
• InChI: InChI=1S/C61H45NO.C58H39NOS.C55H35NS2/c1-59(2)49-23-12-8-19-42(49)46-33-30-40(36-53(46)59)62(41-31-34-47-43-20-9-13-24-50(43)60(3,4)54(47)37-41)55-27-16-28-56-58(55)48-32-29-39(35-57(48)63-56)61(38-17-6-5-7-18-38)51-25-14-10-21-44(51)45-22-11-15-26-52(45)61;1-57(2)46-23-10-6-20-41(46)43-22-14-27-50(56(43)57)59(38-31-33-52-45(35-38)42-21-9-13-28-51(42)60-52)49-26-15-29-53-55(49)44-32-30-37(34-54(44)61-53)58(36-16-4-3-5-17-36)47-24-11-7-18-39(47)40-19-8-12-25-48(40)58;1-3-15-36(16-4-1)37-17-13-20-40(33-37)56(50-27-14-24-45-44-23-9-12-28-51(44)58-54(45)50)41-30-32-53-47(35-41)46-34-39(29-31-52(46)57-53)55(38-18-5-2-6-19-38)48-25-10-7-21-42(48)43-22-8-11-26-49(43)55/h5-37H,1-4H3;3-35H,1-2H3;1-35H
• InChIKey: HKCVBAKEXBTVTF-UHFFFAOYSA-N
• XLogP: 48.05
• TPSA: 36.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2380.09
LogP ≤ 5	48.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine?

The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine (CID 163616043) is N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine.

What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine?

The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c34)cc21.CC1(C)c2ccccc2-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4sc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c34)c21.c1ccc(-c2cccc(N(c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)c3cccc4c3sc3ccccc34)c2)cc1.

What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine?

The InChIKey is HKCVBAKEXBTVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45NO.C58H39NOS.C55H35NS2/c1-59(2)49-23-12-8-19-42(49)46-33-30-40(36-53(46)59)62(41-31-34-47-43-20-9-13-24-50(43)60(3,4)54(47)37-41)55-27-16-28-56-58(55)48-32-29-39(35-57(48)63-56)61(38-17-6-5-7-18-38)51-25-14-10-21-44(51)45-22-11-15-26-52(45)61;1-57(2)46-23-10-6-20-41(46)43-22-14-27-50(56(43)57)59(38-31-33-52-45(35-38)42-21-9-13-28-51(42)60-52)49-26-15-29-53-55(49)44-32-30-37(34-54(44)61-53)58(36-16-4-3-5-17-36)47-24-11-7-18-39(47)40-19-8-12-25-48(40)58;1-3-15-36(16-4-1)37-17-13-20-40(33-37)56(50-27-14-24-45-44-23-9-12-28-51(44)58-54(45)50)41-30-32-53-47(35-41)46-34-39(29-31-52(46)57-53)55(38-18-5-2-6-19-38)48-25-10-7-21-42(48)43-22-8-11-26-49(43)55/h5-37H,1-4H3;3-35H,1-2H3;1-35H.

What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine?

N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine has a molecular weight of 2380.09 g/mol, XLogP of 48.05, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)dibenzofuran-1-amine;N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-1-yl)-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-2-amine is sourced from PubChem (CID 163616043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).