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

C78H60N2O2 — CID 90365627

IUPACN-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7O8)cc6)cc5)cc4)cc3)cc21
InChIInChI=1S/C78H60N2O2/c1-77(2)69-19-11-13-21-73(69)81-75-49-35-61(51-71(75)77)59-31-45-67(46-32-59)79(63-37-23-55(24-38-63)53-15-7-5-8-16-53)65-41-27-57(28-42-65)58-29-43-66(44-30-58)80(64-39-25-56(26-40-64)54-17-9-6-10-18-54)68-47-33-60(34-48-68)62-36-50-76-72(52-62)78(3,4)70-20-12-14-22-74(70)82-76/h5-52H,1-4H3
InChIKeyKYSMBRIYOGLTLK-UHFFFAOYSA-N
MW1057.35 g/mol
LogP21.82
Rot. Bonds11

About 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

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 (PubChem CID 90365627) has the molecular formula C78H60N2O2 and a molecular weight of 1057.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
PubChem CID90365627
Molecular FormulaC78H60N2O2
Molecular Weight1057.35 g/mol
Exact Mass1056.47
IUPAC NameN-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7O8)cc6)cc5)cc4)cc3)cc21
InChIInChI=1S/C78H60N2O2/c1-77(2)69-19-11-13-21-73(69)81-75-49-35-61(51-71(75)77)59-31-45-67(46-32-59)79(63-37-23-55(24-38-63)53-15-7-5-8-16-53)65-41-27-57(28-42-65)58-29-43-66(44-30-58)80(64-39-25-56(26-40-64)54-17-9-6-10-18-54)68-47-33-60(34-48-68)62-36-50-76-72(52-62)78(3,4)70-20-12-14-22-74(70)82-76/h5-52H,1-4H3
InChIKeyKYSMBRIYOGLTLK-UHFFFAOYSA-N
XLogP21.82
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.35
LogP ≤ 521.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118134290
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-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
CID 70935966
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
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
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
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-4-yl)phenyl]-4-phenylaniline
CID 90365671
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643
N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine
CID 164714079
4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 90365685

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7O8)cc6)cc5)cc4)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is KYSMBRIYOGLTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60N2O2/c1-77(2)69-19-11-13-21-73(69)81-75-49-35-61(51-71(75)77)59-31-45-67(46-32-59)79(63-37-23-55(24-38-63)53-15-7-5-8-16-53)65-41-27-57(28-42-65)58-29-43-66(44-30-58)80(64-39-25-56(26-40-64)54-17-9-6-10-18-54)68-47-33-60(34-48-68)62-36-50-76-72(52-62)78(3,4)70-20-12-14-22-74(70)82-76/h5-52H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1057.35 g/mol, XLogP of 21.82, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90365627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).