N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine

C58H41NO — CID 169039724

IUPACN-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4oc5ccccc5c34)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C58H41NO/c1-57(2)48-35-33-41(36-47(48)55-43(26-16-28-50(55)57)38-18-6-3-7-19-38)59(52-29-17-31-54-56(52)46-25-13-15-30-53(46)60-54)42-32-34-45-44-24-12-14-27-49(44)58(51(45)37-42,39-20-8-4-9-21-39)40-22-10-5-11-23-40/h3-37H,1-2H3
InChIKeyFJUDVUQWMUHCAO-UHFFFAOYSA-N
MW767.97 g/mol
LogP15.39
Rot. Bonds6

About N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine

N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine (PubChem CID 169039724) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine
PubChem CID169039724
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC NameN-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4oc5ccccc5c34)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C58H41NO/c1-57(2)48-35-33-41(36-47(48)55-43(26-16-28-50(55)57)38-18-6-3-7-19-38)59(52-29-17-31-54-56(52)46-25-13-15-30-53(46)60-54)42-32-34-45-44-24-12-14-27-49(44)58(51(45)37-42,39-20-8-4-9-21-39)40-22-10-5-11-23-40/h3-37H,1-2H3
InChIKeyFJUDVUQWMUHCAO-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine
CID 167285348
N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 167309850
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312683
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
CID 155312876
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759880
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 152916526
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 147080029
N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302496
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 155312532

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine (CID 169039724) is N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine is CC1(C)c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4oc5ccccc5c34)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine?
The InChIKey is FJUDVUQWMUHCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-57(2)48-35-33-41(36-47(48)55-43(26-16-28-50(55)57)38-18-6-3-7-19-38)59(52-29-17-31-54-56(52)46-25-13-15-30-53(46)60-54)42-32-34-45-44-24-12-14-27-49(44)58(51(45)37-42,39-20-8-4-9-21-39)40-22-10-5-11-23-40/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine?
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine has a molecular weight of 767.97 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 169039724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).