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

C96H76N2O4 — CID 90365709

IUPAC4-[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
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7cccc8c7Oc7ccccc7C8(C)C)cc6)c6ccc(-c7cccc8c7Oc7ccccc7C8(C)C)cc6)cc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5O6)cc4)cc3)cc21
InChIInChI=1S/C96H76N2O4/c1-93(2)79-23-11-15-29-87(79)101-91-75(19-17-25-81(91)93)65-39-53-73(54-40-65)98(74-55-41-66(42-56-74)76-20-18-26-82-92(76)102-88-30-16-12-24-80(88)94(82,3)4)70-47-33-62(34-48-70)61-31-45-69(46-32-61)97(71-49-35-63(36-50-71)67-43-57-89-83(59-67)95(5,6)77-21-9-13-27-85(77)99-89)72-51-37-64(38-52-72)68-44-58-90-84(60-68)96(7,8)78-22-10-14-28-86(78)100-90/h9-60H,1-8H3
InChIKeyGQLLIPKZECLXFY-UHFFFAOYSA-N
MW1321.67 g/mol
LogP26.69
Rot. Bonds11

About 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

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 (PubChem CID 90365709) has the molecular formula C96H76N2O4 and a molecular weight of 1321.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID90365709
Molecular FormulaC96H76N2O4
Molecular Weight1321.67 g/mol
Exact Mass1320.58
IUPAC Name4-[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
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7cccc8c7Oc7ccccc7C8(C)C)cc6)c6ccc(-c7cccc8c7Oc7ccccc7C8(C)C)cc6)cc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5O6)cc4)cc3)cc21
InChIInChI=1S/C96H76N2O4/c1-93(2)79-23-11-15-29-87(79)101-91-75(19-17-25-81(91)93)65-39-53-73(54-40-65)98(74-55-41-66(42-56-74)76-20-18-26-82-92(76)102-88-30-16-12-24-80(88)94(82,3)4)70-47-33-62(34-48-70)61-31-45-69(46-32-61)97(71-49-35-63(36-50-71)67-43-57-89-83(59-67)95(5,6)77-21-9-13-27-85(77)99-89)72-51-37-64(38-52-72)68-44-58-90-84(60-68)96(7,8)78-22-10-14-28-86(78)100-90/h9-60H,1-8H3
InChIKeyGQLLIPKZECLXFY-UHFFFAOYSA-N
XLogP26.69
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001321.67
LogP ≤ 526.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118134290
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
4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 90365606
N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365679
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 90365672
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365703

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7cccc8c7Oc7ccccc7C8(C)C)cc6)c6ccc(-c7cccc8c7Oc7ccccc7C8(C)C)cc6)cc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5O6)cc4)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is GQLLIPKZECLXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H76N2O4/c1-93(2)79-23-11-15-29-87(79)101-91-75(19-17-25-81(91)93)65-39-53-73(54-40-65)98(74-55-41-66(42-56-74)76-20-18-26-82-92(76)102-88-30-16-12-24-80(88)94(82,3)4)70-47-33-62(34-48-70)61-31-45-69(46-32-61)97(71-49-35-63(36-50-71)67-43-57-89-83(59-67)95(5,6)77-21-9-13-27-85(77)99-89)72-51-37-64(38-52-72)68-44-58-90-84(60-68)96(7,8)78-22-10-14-28-86(78)100-90/h9-60H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1321.67 g/mol, XLogP of 26.69, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90365709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).