2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline

C49H35NO — CID 90153719

IUPAC2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C49H35NO/c1-4-17-36(18-5-1)37-31-33-41(34-32-37)50(46-28-13-10-25-43(46)38-19-6-2-7-20-38)42-24-16-23-40(35-42)49(39-21-8-3-9-22-39)44-26-11-14-29-47(44)51-48-30-15-12-27-45(48)49/h1-35H
InChIKeyQDUANOSKRWNKDZ-UHFFFAOYSA-N
MW653.83 g/mol
LogP12.98
Rot. Bonds7

About 2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline

2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline (PubChem CID 90153719) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is 2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
PubChem CID90153719
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC Name2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C49H35NO/c1-4-17-36(18-5-1)37-31-33-41(34-32-37)50(46-28-13-10-25-43(46)38-19-6-2-7-20-38)42-24-16-23-40(35-42)49(39-21-8-3-9-22-39)44-26-11-14-29-47(44)51-48-30-15-12-27-45(48)49/h1-35H
InChIKeyQDUANOSKRWNKDZ-UHFFFAOYSA-N
XLogP12.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728
9,9-diphenyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)fluoren-2-amine
CID 174295753
1-N-(9,9-diphenylfluoren-3-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096776
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline
CID 167177854
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118193744
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline?
The IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline (CID 90153719) is 2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline.
What is the SMILES notation for 2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline?
The canonical SMILES for 2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)c3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline?
The InChIKey is QDUANOSKRWNKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-4-17-36(18-5-1)37-31-33-41(34-32-37)50(46-28-13-10-25-43(46)38-19-6-2-7-20-38)42-24-16-23-40(35-42)49(39-21-8-3-9-22-39)44-26-11-14-29-47(44)51-48-30-15-12-27-45(48)49/h1-35H.
What are the key properties of 2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline?
2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline has a molecular weight of 653.83 g/mol, XLogP of 12.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline is sourced from PubChem (CID 90153719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).