N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine

C53H41NS — CID 145354288

IUPACN-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine
SMILESCc1ccccc1-c1cccc(-c2c(C)ccc(C)c2N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2ccc3c(c2)-c2ccccc2C3)c1C
InChIInChI=1S/C53H41NS/c1-33-13-5-7-15-42(33)43-18-11-19-44(36(43)4)51-34(2)23-24-35(3)53(51)54(41-30-27-39-31-38-14-6-8-16-45(38)48(39)32-41)40-28-25-37(26-29-40)46-20-12-22-50-52(46)47-17-9-10-21-49(47)55-50/h5-30,32H,31H2,1-4H3
InChIKeyHIDWRAFHTSVUTG-UHFFFAOYSA-N
MW723.99 g/mol
LogP15.33
Rot. Bonds6

About N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine

N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine (PubChem CID 145354288) has the molecular formula C53H41NS and a molecular weight of 723.99 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine
PubChem CID145354288
Molecular FormulaC53H41NS
Molecular Weight723.99 g/mol
Exact Mass723.30
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine
SMILESCc1ccccc1-c1cccc(-c2c(C)ccc(C)c2N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2ccc3c(c2)-c2ccccc2C3)c1C
InChIInChI=1S/C53H41NS/c1-33-13-5-7-15-42(33)43-18-11-19-44(36(43)4)51-34(2)23-24-35(3)53(51)54(41-30-27-39-31-38-14-6-8-16-45(38)48(39)32-41)40-28-25-37(26-29-40)46-20-12-22-50-52(46)47-17-9-10-21-49(47)55-50/h5-30,32H,31H2,1-4H3
InChIKeyHIDWRAFHTSVUTG-UHFFFAOYSA-N
XLogP15.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.99
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine
CID 145355148
N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine
CID 176588293
1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine
CID 144990400
1-[3-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329
9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene
CID 145354305
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 166135046
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-2-amine
CID 167184166
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;ethanethiol
CID 145242767

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine (CID 145354288) is N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine is Cc1ccccc1-c1cccc(-c2c(C)ccc(C)c2N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2ccc3c(c2)-c2ccccc2C3)c1C.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine?
The InChIKey is HIDWRAFHTSVUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41NS/c1-33-13-5-7-15-42(33)43-18-11-19-44(36(43)4)51-34(2)23-24-35(3)53(51)54(41-30-27-39-31-38-14-6-8-16-45(38)48(39)32-41)40-28-25-37(26-29-40)46-20-12-22-50-52(46)47-17-9-10-21-49(47)55-50/h5-30,32H,31H2,1-4H3.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine?
N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine has a molecular weight of 723.99 g/mol, XLogP of 15.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine is sourced from PubChem (CID 145354288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).