N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C50H35NO — CID 118188576

IUPACN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)cc3)cccc21
InChIInChI=1S/C50H35NO/c1-50(37-16-6-3-7-17-37)44-22-10-8-19-43(44)48-40(20-12-23-45(48)50)36-28-32-39(33-29-36)51(38-30-26-35(27-31-38)34-14-4-2-5-15-34)46-24-13-21-42-41-18-9-11-25-47(41)52-49(42)46/h2-33H,1H3
InChIKeyLOOPPDXIWJSRGU-UHFFFAOYSA-N
MW665.84 g/mol
LogP13.72
Rot. Bonds6

About N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 118188576) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID118188576
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC NameN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)cc3)cccc21
InChIInChI=1S/C50H35NO/c1-50(37-16-6-3-7-17-37)44-22-10-8-19-43(44)48-40(20-12-23-45(48)50)36-28-32-39(33-29-36)51(38-30-26-35(27-31-38)34-14-4-2-5-15-34)46-24-13-21-42-41-18-9-11-25-47(41)52-49(42)46/h2-33H,1H3
InChIKeyLOOPPDXIWJSRGU-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170302579
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
N-(9,9-dimethylfluoren-2-yl)-N-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]dibenzofuran-4-amine;9,9-dimethyl-N-[2-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 159569909
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169021944
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline;2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 157436588
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788600

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 118188576) is N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)cc3)cccc21.
What is the InChIKey of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is LOOPPDXIWJSRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-50(37-16-6-3-7-17-37)44-22-10-8-19-43(44)48-40(20-12-23-45(48)50)36-28-32-39(33-29-36)51(38-30-26-35(27-31-38)34-14-4-2-5-15-34)46-24-13-21-42-41-18-9-11-25-47(41)52-49(42)46/h2-33H,1H3.
What are the key properties of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 665.84 g/mol, XLogP of 13.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 118188576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).