N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

C50H33NO2 — CID 169021944

IUPACN-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(c2cccc3c2oc2c(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)cccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C50H33NO2/c1-50(41-22-8-5-16-35(41)36-17-6-9-23-42(36)50)43-24-11-19-39-40-21-13-26-45(49(40)53-47(39)43)51(34-30-28-33(29-31-34)32-14-3-2-4-15-32)44-25-12-20-38-37-18-7-10-27-46(37)52-48(38)44/h2-31H,1H3
InChIKeyYQMVROVFSCKKFN-UHFFFAOYSA-N
MW679.82 g/mol
LogP13.96
Rot. Bonds5

About N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 169021944) has the molecular formula C50H33NO2 and a molecular weight of 679.82 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID169021944
Molecular FormulaC50H33NO2
Molecular Weight679.82 g/mol
Exact Mass679.25
IUPAC NameN-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(c2cccc3c2oc2c(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)cccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C50H33NO2/c1-50(41-22-8-5-16-35(41)36-17-6-9-23-42(36)50)43-24-11-19-39-40-21-13-26-45(49(40)53-47(39)43)51(34-30-28-33(29-31-34)32-14-3-2-4-15-32)44-25-12-20-38-37-18-7-10-27-46(37)52-48(38)44/h2-31H,1H3
InChIKeyYQMVROVFSCKKFN-UHFFFAOYSA-N
XLogP13.96
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022239
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118188576
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 169021993
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine
CID 169022363
6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022464
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
CID 169022361

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 169021944) is N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is CC1(c2cccc3c2oc2c(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)cccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is YQMVROVFSCKKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO2/c1-50(41-22-8-5-16-35(41)36-17-6-9-23-42(36)50)43-24-11-19-39-40-21-13-26-45(49(40)53-47(39)43)51(34-30-28-33(29-31-34)32-14-3-2-4-15-32)44-25-12-20-38-37-18-7-10-27-46(37)52-48(38)44/h2-31H,1H3.
What are the key properties of N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 679.82 g/mol, XLogP of 13.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 169021944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).