N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C155H105N3O4 — CID 161386927

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.c1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H37NO.C51H37NO.C48H31NO2/c1-3-17-48-39(11-1)13-8-20-50(48)41-27-33-46(34-28-41)57(47-35-29-42(30-36-47)51-21-9-14-40-12-2-4-18-49(40)51)45-31-25-38(26-32-45)43-15-7-16-44(37-43)52-22-10-23-54-53-19-5-6-24-55(53)58-56(52)54;1-51(2)47-17-8-6-13-43(47)44-32-31-41(33-48(44)51)52(39-27-23-37(24-28-39)36-21-19-35(20-22-36)34-11-4-3-5-12-34)40-29-25-38(26-30-40)42-15-10-16-46-45-14-7-9-18-49(45)53-50(42)46;1-2-10-32(11-3-1)33-20-26-36(27-21-33)49(37-28-22-34(23-29-37)39-14-8-16-43-41-12-4-6-18-45(41)50-47(39)43)38-30-24-35(25-31-38)40-15-9-17-44-42-13-5-7-19-46(42)51-48(40)44/h1-37H;3-33H,1-2H3;1-31H
InChIKeyVSLYSRIGKQYFGW-UHFFFAOYSA-N
MW2073.56 g/mol
LogP44.35
Rot. Bonds19

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 161386927) has the molecular formula C155H105N3O4 and a molecular weight of 2073.56 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID161386927
Molecular FormulaC155H105N3O4
Molecular Weight2073.56 g/mol
Exact Mass2071.81
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.c1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H37NO.C51H37NO.C48H31NO2/c1-3-17-48-39(11-1)13-8-20-50(48)41-27-33-46(34-28-41)57(47-35-29-42(30-36-47)51-21-9-14-40-12-2-4-18-49(40)51)45-31-25-38(26-32-45)43-15-7-16-44(37-43)52-22-10-23-54-53-19-5-6-24-55(53)58-56(52)54;1-51(2)47-17-8-6-13-43(47)44-32-31-41(33-48(44)51)52(39-27-23-37(24-28-39)36-21-19-35(20-22-36)34-11-4-3-5-12-34)40-29-25-38(26-30-40)42-15-10-16-46-45-14-7-9-18-49(45)53-50(42)46;1-2-10-32(11-3-1)33-20-26-36(27-21-33)49(37-28-22-34(23-29-37)39-14-8-16-43-41-12-4-6-18-45(41)50-47(39)43)38-30-24-35(25-31-38)40-15-9-17-44-42-13-5-7-19-46(42)51-48(40)44/h1-37H;3-33H,1-2H3;1-31H
InChIKeyVSLYSRIGKQYFGW-UHFFFAOYSA-N
XLogP44.35
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms162
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002073.56
LogP ≤ 544.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 161386927) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.c1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is VSLYSRIGKQYFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO.C51H37NO.C48H31NO2/c1-3-17-48-39(11-1)13-8-20-50(48)41-27-33-46(34-28-41)57(47-35-29-42(30-36-47)51-21-9-14-40-12-2-4-18-49(40)51)45-31-25-38(26-32-45)43-15-7-16-44(37-43)52-22-10-23-54-53-19-5-6-24-55(53)58-56(52)54;1-51(2)47-17-8-6-13-43(47)44-32-31-41(33-48(44)51)52(39-27-23-37(24-28-39)36-21-19-35(20-22-36)34-11-4-3-5-12-34)40-29-25-38(26-30-40)42-15-10-16-46-45-14-7-9-18-49(45)53-50(42)46;1-2-10-32(11-3-1)33-20-26-36(27-21-33)49(37-28-22-34(23-29-37)39-14-8-16-43-41-12-4-6-18-45(41)50-47(39)43)38-30-24-35(25-31-38)40-15-9-17-44-42-13-5-7-19-46(42)51-48(40)44/h1-37H;3-33H,1-2H3;1-31H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 2073.56 g/mol, XLogP of 44.35, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 161386927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).