4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline

C55H39NO — CID 90154272

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C55H39NO/c1-4-16-40(17-5-1)42-28-34-46(35-29-42)56(47-36-30-43(31-37-47)41-18-6-2-7-19-41)48-38-32-44(33-39-48)49-22-10-11-23-50(49)55(45-20-8-3-9-21-45)51-24-12-14-26-53(51)57-54-27-15-13-25-52(54)55/h1-39H
InChIKeyCZDDUVUSDFXVDV-UHFFFAOYSA-N
MW729.92 g/mol
LogP14.65
Rot. Bonds8

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline (PubChem CID 90154272) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline
PubChem CID90154272
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C55H39NO/c1-4-16-40(17-5-1)42-28-34-46(35-29-42)56(47-36-30-43(31-37-47)41-18-6-2-7-19-41)48-38-32-44(33-39-48)49-22-10-11-23-50(49)55(45-20-8-3-9-21-45)51-24-12-14-26-53(51)57-54-27-15-13-25-52(54)55/h1-39H
InChIKeyCZDDUVUSDFXVDV-UHFFFAOYSA-N
XLogP14.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009
2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 90153719
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine
CID 166679206
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
9,9-diphenyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)fluoren-2-amine
CID 174295753

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline (CID 90154272) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline?
The InChIKey is CZDDUVUSDFXVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-4-16-40(17-5-1)42-28-34-46(35-29-42)56(47-36-30-43(31-37-47)41-18-6-2-7-19-41)48-38-32-44(33-39-48)49-22-10-11-23-50(49)55(45-20-8-3-9-21-45)51-24-12-14-26-53(51)57-54-27-15-13-25-52(54)55/h1-39H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline has a molecular weight of 729.92 g/mol, XLogP of 14.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 90154272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).