N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline

C66H55NO — CID 170302907

IUPACN-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3C3=C4Oc5ccccc5C4CC=C3)c3ccccc3C3=c4c(C5CCCCC5)cccc4=CCC3)cccc21
InChIInChI=1S/C66H55NO/c1-66(46-26-6-3-7-27-46)57-38-13-8-32-56(57)64-53(35-21-39-58(64)66)49-29-10-15-41-60(49)67(61-42-16-11-30-50(61)54-36-20-37-55-51-31-12-17-43-62(51)68-65(54)55)59-40-14-9-28-48(59)52-34-19-25-45-24-18-33-47(63(45)52)44-22-4-2-5-23-44/h3,6-18,20-21,24-33,35-36,38-44,55H,2,4-5,19,22-23,34,37H2,1H3
InChIKeyWGRFKLYTKAZHQN-UHFFFAOYSA-N
MW878.17 g/mol
LogP15.83
Rot. Bonds8

About N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline

N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline (PubChem CID 170302907) has the molecular formula C66H55NO and a molecular weight of 878.17 g/mol. Its IUPAC name is N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline
PubChem CID170302907
Molecular FormulaC66H55NO
Molecular Weight878.17 g/mol
Exact Mass877.43
IUPAC NameN-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3C3=C4Oc5ccccc5C4CC=C3)c3ccccc3C3=c4c(C5CCCCC5)cccc4=CCC3)cccc21
InChIInChI=1S/C66H55NO/c1-66(46-26-6-3-7-27-46)57-38-13-8-32-56(57)64-53(35-21-39-58(64)66)49-29-10-15-41-60(49)67(61-42-16-11-30-50(61)54-36-20-37-55-51-31-12-17-43-62(51)68-65(54)55)59-40-14-9-28-48(59)52-34-19-25-45-24-18-33-47(63(45)52)44-22-4-2-5-23-44/h3,6-18,20-21,24-33,35-36,38-44,55H,2,4-5,19,22-23,34,37H2,1H3
InChIKeyWGRFKLYTKAZHQN-UHFFFAOYSA-N
XLogP15.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.17
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline?
The IUPAC name of N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline (CID 170302907) is N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline.
What is the SMILES notation for N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline?
The canonical SMILES for N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3C3=C4Oc5ccccc5C4CC=C3)c3ccccc3C3=c4c(C5CCCCC5)cccc4=CCC3)cccc21.
What is the InChIKey of N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline?
The InChIKey is WGRFKLYTKAZHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H55NO/c1-66(46-26-6-3-7-27-46)57-38-13-8-32-56(57)64-53(35-21-39-58(64)66)49-29-10-15-41-60(49)67(61-42-16-11-30-50(61)54-36-20-37-55-51-31-12-17-43-62(51)68-65(54)55)59-40-14-9-28-48(59)52-34-19-25-45-24-18-33-47(63(45)52)44-22-4-2-5-23-44/h3,6-18,20-21,24-33,35-36,38-44,55H,2,4-5,19,22-23,34,37H2,1H3.
What are the key properties of N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline?
N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline has a molecular weight of 878.17 g/mol, XLogP of 15.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline is sourced from PubChem (CID 170302907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).