bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

C177H137N3O5 — CID 158922186

IUPACbis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc(-c6ccccc6)c5)cc4)cc3)cccc21.CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6c5Oc5ccccc5C6(C)C)cc4)cc3)cccc21.CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6c5Oc5ccccc5C6(C)C)cc4)cc3)cccc21
InChIInChI=1S/2C60H47NO2.C57H43NO/c2*1-59(2)51-21-8-10-25-55(51)62-57-49(19-13-23-53(57)59)42-29-35-47(36-30-42)61(46-33-27-41(28-34-46)45-18-12-17-44(39-45)40-15-6-5-7-16-40)48-37-31-43(32-38-48)50-20-14-24-54-58(50)63-56-26-11-9-22-52(56)60(54,3)4;1-57(2)53-20-9-10-22-55(53)59-56-52(19-12-21-54(56)57)46-31-37-51(38-32-46)58(49-33-27-44(28-34-49)43-25-23-42(24-26-43)40-13-5-3-6-14-40)50-35-29-45(30-36-50)48-18-11-17-47(39-48)41-15-7-4-8-16-41/h2*5-39H,1-4H3;3-39H,1-2H3
InChIKeyJHYVBUYJHPGQPM-UHFFFAOYSA-N
MW2386.06 g/mol
LogP49.30
Rot. Bonds22

About bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 158922186) has the molecular formula C177H137N3O5 and a molecular weight of 2386.06 g/mol. Its IUPAC name is bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Namebis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID158922186
Molecular FormulaC177H137N3O5
Molecular Weight2386.06 g/mol
Exact Mass2384.06
IUPAC Namebis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc(-c6ccccc6)c5)cc4)cc3)cccc21.CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6c5Oc5ccccc5C6(C)C)cc4)cc3)cccc21.CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6c5Oc5ccccc5C6(C)C)cc4)cc3)cccc21
InChIInChI=1S/2C60H47NO2.C57H43NO/c2*1-59(2)51-21-8-10-25-55(51)62-57-49(19-13-23-53(57)59)42-29-35-47(36-30-42)61(46-33-27-41(28-34-46)45-18-12-17-44(39-45)40-15-6-5-7-16-40)48-37-31-43(32-38-48)50-20-14-24-54-58(50)63-56-26-11-9-22-52(56)60(54,3)4;1-57(2)53-20-9-10-22-55(53)59-56-52(19-12-21-54(56)57)46-31-37-51(38-32-46)58(49-33-27-44(28-34-49)43-25-23-42(24-26-43)40-13-5-3-6-14-40)50-35-29-45(30-36-50)48-18-11-17-47(39-48)41-15-7-4-8-16-41/h2*5-39H,1-4H3;3-39H,1-2H3
InChIKeyJHYVBUYJHPGQPM-UHFFFAOYSA-N
XLogP49.30
TPSA55.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms185
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002386.06
LogP ≤ 549.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline with MolForge

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Related Compounds

N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-phenylaniline
CID 90365671
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643
4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 90365685
4-[4-[4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]anilino]phenyl]-N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]aniline
CID 90365709
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118134290
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 90365627
9,9-dimethyl-N-[4-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176597473
N-(9,9-dimethylfluoren-2-yl)-4,16-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-amine
CID 176597963
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;4-(9,9-dimethylxanthen-4-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-(7,9,9-triphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 158645272
N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine
CID 118134072
N-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 147861755

Frequently Asked Questions

What is the IUPAC name of bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 158922186) is bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc(-c6ccccc6)c5)cc4)cc3)cccc21.CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6c5Oc5ccccc5C6(C)C)cc4)cc3)cccc21.CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6c5Oc5ccccc5C6(C)C)cc4)cc3)cccc21.
What is the InChIKey of bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is JHYVBUYJHPGQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H47NO2.C57H43NO/c2*1-59(2)51-21-8-10-25-55(51)62-57-49(19-13-23-53(57)59)42-29-35-47(36-30-42)61(46-33-27-41(28-34-46)45-18-12-17-44(39-45)40-15-6-5-7-16-40)48-37-31-43(32-38-48)50-20-14-24-54-58(50)63-56-26-11-9-22-52(56)60(54,3)4;1-57(2)53-20-9-10-22-55(53)59-56-52(19-12-21-54(56)57)46-31-37-51(38-32-46)58(49-33-27-44(28-34-49)43-25-23-42(24-26-43)40-13-5-3-6-14-40)50-35-29-45(30-36-50)48-18-11-17-47(39-48)41-15-7-4-8-16-41/h2*5-39H,1-4H3;3-39H,1-2H3.
What are the key properties of bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 2386.06 g/mol, XLogP of 49.30, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 158922186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).