4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline

C60H42N4 — CID 146509239

IUPAC4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline
SMILESc1ccc(-c2cc3cccc(-c4ccc(N(c5ccc(-c6cccc7c(-c8ccccc8)ccn67)cc5)c5ccc(-c6cccc7c(-c8ccccc8)ccn67)cc5)cc4)n3c2)cc1
InChIInChI=1S/C60H42N4/c1-4-13-43(14-5-1)49-41-53-19-10-20-58(63(53)42-49)48-29-35-52(36-30-48)64(50-31-25-46(26-32-50)56-21-11-23-59-54(37-39-61(56)59)44-15-6-2-7-16-44)51-33-27-47(28-34-51)57-22-12-24-60-55(38-40-62(57)60)45-17-8-3-9-18-45/h1-42H
InChIKeyYADBYVGUGUOIAE-UHFFFAOYSA-N
MW819.02 g/mol
LogP15.92
Rot. Bonds9

About 4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline

4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline (PubChem CID 146509239) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline
PubChem CID146509239
Molecular FormulaC60H42N4
Molecular Weight819.02 g/mol
Exact Mass818.34
IUPAC Name4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline
SMILESc1ccc(-c2cc3cccc(-c4ccc(N(c5ccc(-c6cccc7c(-c8ccccc8)ccn67)cc5)c5ccc(-c6cccc7c(-c8ccccc8)ccn67)cc5)cc4)n3c2)cc1
InChIInChI=1S/C60H42N4/c1-4-13-43(14-5-1)49-41-53-19-10-20-58(63(53)42-49)48-29-35-52(36-30-48)64(50-31-25-46(26-32-50)56-21-11-23-59-54(37-39-61(56)59)44-15-6-2-7-16-44)51-33-27-47(28-34-51)57-22-12-24-60-55(38-40-62(57)60)45-17-8-3-9-18-45/h1-42H
InChIKeyYADBYVGUGUOIAE-UHFFFAOYSA-N
XLogP15.92
TPSA16.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-cyclohepta-1,3,6-trien-1-ylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline
CID 146515087
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
5-fluoro-2-phenylindolizine
CID 139214694
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N,N-diphenyl-4-[3-phenyl-5-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 121368277
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline?
The IUPAC name of 4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline (CID 146509239) is 4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline.
What is the SMILES notation for 4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline?
The canonical SMILES for 4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline is c1ccc(-c2cc3cccc(-c4ccc(N(c5ccc(-c6cccc7c(-c8ccccc8)ccn67)cc5)c5ccc(-c6cccc7c(-c8ccccc8)ccn67)cc5)cc4)n3c2)cc1.
What is the InChIKey of 4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline?
The InChIKey is YADBYVGUGUOIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4/c1-4-13-43(14-5-1)49-41-53-19-10-20-58(63(53)42-49)48-29-35-52(36-30-48)64(50-31-25-46(26-32-50)56-21-11-23-59-54(37-39-61(56)59)44-15-6-2-7-16-44)51-33-27-47(28-34-51)57-22-12-24-60-55(38-40-62(57)60)45-17-8-3-9-18-45/h1-42H.
What are the key properties of 4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline?
4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline has a molecular weight of 819.02 g/mol, XLogP of 15.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline is sourced from PubChem (CID 146509239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).