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

C165H117N3 — CID 158825710

IUPACN-[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
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4cccc(-c5ccccc5)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccccc4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/3C55H39N/c1-4-17-40(18-5-1)41-31-33-42(34-32-41)44-21-16-24-48(39-44)56(54-30-15-12-25-49(54)43-19-6-2-7-20-43)47-37-35-46(36-38-47)55(45-22-8-3-9-23-45)52-28-13-10-26-50(52)51-27-11-14-29-53(51)55;1-4-16-40(17-5-1)42-30-32-43(33-31-42)45-21-15-25-50(39-45)56(49-24-14-20-44(38-49)41-18-6-2-7-19-41)48-36-34-47(35-37-48)55(46-22-8-3-9-23-46)53-28-12-10-26-51(53)52-27-11-13-29-54(52)55;1-4-15-40(16-5-1)42-27-29-44(30-28-42)45-19-14-22-50(39-45)56(48-35-31-43(32-36-48)41-17-6-2-7-18-41)49-37-33-47(34-38-49)55(46-20-8-3-9-21-46)53-25-12-10-23-51(53)52-24-11-13-26-54(52)55/h3*1-39H
InChIKeyIWKVOGKFSBWZEW-UHFFFAOYSA-N
MW2141.77 g/mol
LogP43.56
Rot. Bonds24

About 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

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 (PubChem CID 158825710) has the molecular formula C165H117N3 and a molecular weight of 2141.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158825710
Molecular FormulaC165H117N3
Molecular Weight2141.77 g/mol
Exact Mass2139.92
IUPAC NameN-[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
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4cccc(-c5ccccc5)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccccc4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/3C55H39N/c1-4-17-40(18-5-1)41-31-33-42(34-32-41)44-21-16-24-48(39-44)56(54-30-15-12-25-49(54)43-19-6-2-7-20-43)47-37-35-46(36-38-47)55(45-22-8-3-9-23-45)52-28-13-10-26-50(52)51-27-11-14-29-53(51)55;1-4-16-40(17-5-1)42-30-32-43(33-31-42)45-21-15-25-50(39-45)56(49-24-14-20-44(38-49)41-18-6-2-7-19-41)48-36-34-47(35-37-48)55(46-22-8-3-9-23-46)53-28-12-10-26-51(53)52-27-11-13-29-54(52)55;1-4-15-40(16-5-1)42-27-29-44(30-28-42)45-19-14-22-50(39-45)56(48-35-31-43(32-36-48)41-17-6-2-7-18-41)49-37-33-47(34-38-49)55(46-20-8-3-9-21-46)53-25-12-10-23-51(53)52-24-11-13-26-54(52)55/h3*1-39H
InChIKeyIWKVOGKFSBWZEW-UHFFFAOYSA-N
XLogP43.56
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms168
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002141.77
LogP ≤ 543.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4cccc(-c5ccccc5)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccccc4-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is IWKVOGKFSBWZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C55H39N/c1-4-17-40(18-5-1)41-31-33-42(34-32-41)44-21-16-24-48(39-44)56(54-30-15-12-25-49(54)43-19-6-2-7-20-43)47-37-35-46(36-38-47)55(45-22-8-3-9-23-45)52-28-13-10-26-50(52)51-27-11-14-29-53(51)55;1-4-16-40(17-5-1)42-30-32-43(33-31-42)45-21-15-25-50(39-45)56(49-24-14-20-44(38-49)41-18-6-2-7-19-41)48-36-34-47(35-37-48)55(46-22-8-3-9-23-46)53-28-12-10-26-51(53)52-27-11-13-29-54(52)55;1-4-15-40(16-5-1)42-27-29-44(30-28-42)45-19-14-22-50(39-45)56(48-35-31-43(32-36-48)41-17-6-2-7-18-41)49-37-33-47(34-38-49)55(46-20-8-3-9-21-46)53-25-12-10-23-51(53)52-24-11-13-26-54(52)55/h3*1-39H.
What are the key properties of 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?
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 has a molecular weight of 2141.77 g/mol, XLogP of 43.56, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158825710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).