N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C117H80N2O3 — CID 159384887

About N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine

N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 159384887) has the molecular formula C117H80N2O3 and a molecular weight of 1561.94 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
• PubChem CID: 159384887
• Molecular Formula: C117H80N2O3
• Molecular Weight: 1561.94 g/mol
• Exact Mass: 1560.62
• IUPAC Name: N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C63H45NO.C54H35NO2/c1-63(2)59-40-51(50-30-38-62-58(39-50)57-15-9-10-16-61(57)65-62)29-36-55(59)56-37-35-54(41-60(56)63)64(52-31-25-48(26-32-52)46-21-17-44(18-22-46)42-11-5-3-6-12-42)53-33-27-49(28-34-53)47-23-19-45(20-24-47)43-13-7-4-8-14-43;1-2-8-36(9-3-1)37-14-16-38(17-15-37)39-18-26-44(27-19-39)55(45-28-20-40(21-29-45)42-24-32-53-49(34-42)47-10-4-6-12-51(47)56-53)46-30-22-41(23-31-46)43-25-33-54-50(35-43)48-11-5-7-13-52(48)57-54/h3-41H,1-2H3;1-35H
• InChIKey: LLJGBCZYNCQHBV-UHFFFAOYSA-N
• XLogP: 33.32
• TPSA: 45.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1561.94
LogP ≤ 5	33.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine?

The IUPAC name of N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 159384887) is N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

What is the SMILES notation for N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine?

The canonical SMILES for N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)cc1.

What is the InChIKey of N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine?

The InChIKey is LLJGBCZYNCQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45NO.C54H35NO2/c1-63(2)59-40-51(50-30-38-62-58(39-50)57-15-9-10-16-61(57)65-62)29-36-55(59)56-37-35-54(41-60(56)63)64(52-31-25-48(26-32-52)46-21-17-44(18-22-46)42-11-5-3-6-12-42)53-33-27-49(28-34-53)47-23-19-45(20-24-47)43-13-7-4-8-14-43;1-2-8-36(9-3-1)37-14-16-38(17-15-37)39-18-26-44(27-19-39)55(45-28-20-40(21-29-45)42-24-32-53-49(34-42)47-10-4-6-12-51(47)56-53)46-30-22-41(23-31-46)43-25-33-54-50(35-43)48-11-5-7-13-52(48)57-54/h3-41H,1-2H3;1-35H.

What are the key properties of N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine?

N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 1561.94 g/mol, XLogP of 33.32, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 159384887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).