N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine

C57H39NO — CID 171453579

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C57H39NO/c1-56(38-18-5-2-6-19-38)48-27-14-11-24-43(48)47-36-41(33-35-49(47)56)58(42-32-34-45-44-25-13-16-31-53(44)59-54(45)37-42)52-30-17-29-51-55(52)46-26-12-15-28-50(46)57(51,39-20-7-3-8-21-39)40-22-9-4-10-23-40/h2-37H,1H3
InChIKeyKBFWWZFUSVMVCR-UHFFFAOYSA-N
MW753.95 g/mol
LogP14.75
Rot. Bonds6

About N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine

N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine (PubChem CID 171453579) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine
PubChem CID171453579
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C57H39NO/c1-56(38-18-5-2-6-19-38)48-27-14-11-24-43(48)47-36-41(33-35-49(47)56)58(42-32-34-45-44-25-13-16-31-53(44)59-54(45)37-42)52-30-17-29-51-55(52)46-26-12-15-28-50(46)57(51,39-20-7-3-8-21-39)40-22-9-4-10-23-40/h2-37H,1H3
InChIKeyKBFWWZFUSVMVCR-UHFFFAOYSA-N
XLogP14.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453273
N-(9,9-diphenylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790790
N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308581
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]dibenzofuran-2-amine
CID 171453603
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312684
3-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-4-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 155096767
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453030
N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine
CID 171453417
N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-4-yl]dibenzofuran-3-amine
CID 163671678
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
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-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229394

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine (CID 171453579) is N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine?
The InChIKey is KBFWWZFUSVMVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-56(38-18-5-2-6-19-38)48-27-14-11-24-43(48)47-36-41(33-35-49(47)56)58(42-32-34-45-44-25-13-16-31-53(44)59-54(45)37-42)52-30-17-29-51-55(52)46-26-12-15-28-50(46)57(51,39-20-7-3-8-21-39)40-22-9-4-10-23-40/h2-37H,1H3.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine has a molecular weight of 753.95 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine is sourced from PubChem (CID 171453579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).