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

C61H44N4 — CID 146515087

IUPAC4-(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
SMILESC1=CCC=CC(c2ccn3c(-c4ccc(N(c5ccc(-c6cccc7cc(-c8ccccc8)cn67)cc5)c5ccc(-c6cccc7c(-c8ccccc8)ccn67)cc5)cc4)cccc23)=C1
InChIInChI=1S/C61H44N4/c1-2-6-17-45(16-5-1)55-38-40-62-57(22-12-24-60(55)62)47-26-32-51(33-27-47)65(52-34-28-48(29-35-52)58-23-13-25-61-56(39-41-63(58)61)46-18-9-4-10-19-46)53-36-30-49(31-37-53)59-21-11-20-54-42-50(43-64(54)59)44-14-7-3-8-15-44/h1,3-43H,2H2
InChIKeyMFICDALWKCZMOS-UHFFFAOYSA-N
MW833.05 g/mol
LogP16.15
Rot. Bonds9

About 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

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 (PubChem CID 146515087) has the molecular formula C61H44N4 and a molecular weight of 833.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID146515087
Molecular FormulaC61H44N4
Molecular Weight833.05 g/mol
Exact Mass832.36
IUPAC Name4-(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
SMILESC1=CCC=CC(c2ccn3c(-c4ccc(N(c5ccc(-c6cccc7cc(-c8ccccc8)cn67)cc5)c5ccc(-c6cccc7c(-c8ccccc8)ccn67)cc5)cc4)cccc23)=C1
InChIInChI=1S/C61H44N4/c1-2-6-17-45(16-5-1)55-38-40-62-57(22-12-24-60(55)62)47-26-32-51(33-27-47)65(52-34-28-48(29-35-52)58-23-13-25-61-56(39-41-63(58)61)46-18-9-4-10-19-46)53-36-30-49(31-37-53)59-21-11-20-54-42-50(43-64(54)59)44-14-7-3-8-15-44/h1,3-43H,2H2
InChIKeyMFICDALWKCZMOS-UHFFFAOYSA-N
XLogP16.15
TPSA16.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.05
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline
CID 146509239
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
5-fluoro-2-phenylindolizine
CID 139214694
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037754
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
N-cyclohepta-1,3,6-trien-1-yl-N,9-diphenyl-6-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 146625646
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575
N-[4-[4-[2-(2-cyclohexa-1,5-dien-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166876411
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
N-[4-(12-cyclohepta-1,3,6-trien-1-yl-7-phenylbenzo[k]fluoranthen-4-yl)phenyl]-N-phenylbenzo[h]quinolin-6-amine
CID 166714248

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCC=CC(c2ccn3c(-c4ccc(N(c5ccc(-c6cccc7cc(-c8ccccc8)cn67)cc5)c5ccc(-c6cccc7c(-c8ccccc8)ccn67)cc5)cc4)cccc23)=C1.
What is the InChIKey of 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?
The InChIKey is MFICDALWKCZMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N4/c1-2-6-17-45(16-5-1)55-38-40-62-57(22-12-24-60(55)62)47-26-32-51(33-27-47)65(52-34-28-48(29-35-52)58-23-13-25-61-56(39-41-63(58)61)46-18-9-4-10-19-46)53-36-30-49(31-37-53)59-21-11-20-54-42-50(43-64(54)59)44-14-7-3-8-15-44/h1,3-43H,2H2.
What are the key properties of 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?
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 has a molecular weight of 833.05 g/mol, XLogP of 16.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146515087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).