N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine

C141H103N3S — CID 162180065

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cc3)cc21.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C52H39N.C46H35N.C43H29NS/c1-51(2)47-25-12-9-22-43(47)46-33-30-37(34-50(46)51)36-28-31-41(32-29-36)53(40-19-7-4-8-20-40)42-21-15-18-39(35-42)52(38-16-5-3-6-17-38)48-26-13-10-23-44(48)45-24-11-14-27-49(45)52;1-45(2)39-26-12-11-25-38(39)44-42(45)29-16-30-43(44)47(34-20-7-4-8-21-34)35-22-15-19-33(31-35)46(32-17-5-3-6-18-32)40-27-13-9-23-36(40)37-24-10-14-28-41(37)46;1-3-14-30(15-4-1)43(37-21-10-7-18-34(37)35-19-8-11-22-38(35)43)31-26-28-33(29-27-31)44(32-16-5-2-6-17-32)39-23-13-25-41-42(39)36-20-9-12-24-40(36)45-41/h3-35H,1-2H3;3-31H,1-2H3;1-29H
InChIKeyZOXAZQIHUPSNNS-UHFFFAOYSA-N
MW1871.46 g/mol
LogP37.21
Rot. Bonds16

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 162180065) has the molecular formula C141H103N3S and a molecular weight of 1871.46 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
PubChem CID162180065
Molecular FormulaC141H103N3S
Molecular Weight1871.46 g/mol
Exact Mass1869.79
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cc3)cc21.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C52H39N.C46H35N.C43H29NS/c1-51(2)47-25-12-9-22-43(47)46-33-30-37(34-50(46)51)36-28-31-41(32-29-36)53(40-19-7-4-8-20-40)42-21-15-18-39(35-42)52(38-16-5-3-6-17-38)48-26-13-10-23-44(48)45-24-11-14-27-49(45)52;1-45(2)39-26-12-11-25-38(39)44-42(45)29-16-30-43(44)47(34-20-7-4-8-21-34)35-22-15-19-33(31-35)46(32-17-5-3-6-18-32)40-27-13-9-23-36(40)37-24-10-14-28-41(37)46;1-3-14-30(15-4-1)43(37-21-10-7-18-34(37)35-19-8-11-22-38(35)43)31-26-28-33(29-27-31)44(32-16-5-2-6-17-32)39-23-13-25-41-42(39)36-20-9-12-24-40(36)45-41/h3-35H,1-2H3;3-31H,1-2H3;1-29H
InChIKeyZOXAZQIHUPSNNS-UHFFFAOYSA-N
XLogP37.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001871.46
LogP ≤ 537.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine 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

N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585
3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582431
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168840212
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 158728666
1-N-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-phenyl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 155096793
bis(N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine);bis(N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine)
CID 159889850
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
9,9-dimethyl-N-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 163676847
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163480005
N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine
CID 163963486

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine (CID 162180065) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cc3)cc21.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is ZOXAZQIHUPSNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N.C46H35N.C43H29NS/c1-51(2)47-25-12-9-22-43(47)46-33-30-37(34-50(46)51)36-28-31-41(32-29-36)53(40-19-7-4-8-20-40)42-21-15-18-39(35-42)52(38-16-5-3-6-17-38)48-26-13-10-23-44(48)45-24-11-14-27-49(45)52;1-45(2)39-26-12-11-25-38(39)44-42(45)29-16-30-43(44)47(34-20-7-4-8-21-34)35-22-15-19-33(31-35)46(32-17-5-3-6-18-32)40-27-13-9-23-36(40)37-24-10-14-28-41(37)46;1-3-14-30(15-4-1)43(37-21-10-7-18-34(37)35-19-8-11-22-38(35)43)31-26-28-33(29-27-31)44(32-16-5-2-6-17-32)39-23-13-25-41-42(39)36-20-9-12-24-40(36)45-41/h3-35H,1-2H3;3-31H,1-2H3;1-29H.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 1871.46 g/mol, XLogP of 37.21, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 162180065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).