4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine

C48H33NO — CID 169022297

IUPAC4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)ccc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C48H33NO/c1-48(42-20-10-7-17-38(42)39-18-8-11-21-43(39)48)46-44(30-29-41-40-19-9-12-22-45(40)50-47(41)46)49(37-28-25-33-15-5-6-16-35(33)31-37)36-26-23-34(24-27-36)32-13-3-2-4-14-32/h2-31H,1H3
InChIKeyCIYPXPPLNRVAMM-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.21
Rot. Bonds5

About 4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine

4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 169022297) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is 4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID169022297
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC Name4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)ccc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C48H33NO/c1-48(42-20-10-7-17-38(42)39-18-8-11-21-43(39)48)46-44(30-29-41-40-19-9-12-22-45(40)50-47(41)46)49(37-28-25-33-15-5-6-16-35(33)31-37)36-26-23-34(24-27-36)32-13-3-2-4-14-32/h2-31H,1H3
InChIKeyCIYPXPPLNRVAMM-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine
CID 169022363
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022152
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 146270972
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
4-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-2-yl-7-phenylfluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anthracen-2-amine
CID 157416955
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069471
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022450
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-10-amine
CID 160770328

Frequently Asked Questions

What is the IUPAC name of 4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 169022297) is 4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is CC1(c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)ccc3c2oc2ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is CIYPXPPLNRVAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-48(42-20-10-7-17-38(42)39-18-8-11-21-43(39)48)46-44(30-29-41-40-19-9-12-22-45(40)50-47(41)46)49(37-28-25-33-15-5-6-16-35(33)31-37)36-26-23-34(24-27-36)32-13-3-2-4-14-32/h2-31H,1H3.
What are the key properties of 4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 639.80 g/mol, XLogP of 13.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 169022297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).