N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine

C49H35NO — CID 172544770

IUPACN-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cccc4ccccc34)c3cccc4oc5c(-c6ccccc6)cccc5c34)cccc21
InChIInChI=1S/C49H35NO/c1-49(2)40-26-10-8-22-38(40)46-41(49)27-14-29-43(46)50(42-28-11-9-21-37(42)36-24-12-19-32-18-6-7-20-34(32)36)44-30-15-31-45-47(44)39-25-13-23-35(48(39)51-45)33-16-4-3-5-17-33/h3-31H,1-2H3
InChIKeyAEXFGOCOCORNOK-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine

N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine (PubChem CID 172544770) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine
PubChem CID172544770
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cccc4ccccc34)c3cccc4oc5c(-c6ccccc6)cccc5c34)cccc21
InChIInChI=1S/C49H35NO/c1-49(2)40-26-10-8-22-38(40)46-41(49)27-14-29-43(46)50(42-28-11-9-21-37(42)36-24-12-19-32-18-6-7-20-34(32)36)44-30-15-31-45-47(44)39-25-13-23-35(48(39)51-45)33-16-4-3-5-17-33/h3-31H,1-2H3
InChIKeyAEXFGOCOCORNOK-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544887
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 176583226
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170137694
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139869
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544730
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-4-amine
CID 142515726
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568033
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423614

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine (CID 172544770) is N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cccc4ccccc34)c3cccc4oc5c(-c6ccccc6)cccc5c34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine?
The InChIKey is AEXFGOCOCORNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)40-26-10-8-22-38(40)46-41(49)27-14-29-43(46)50(42-28-11-9-21-37(42)36-24-12-19-32-18-6-7-20-34(32)36)44-30-15-31-45-47(44)39-25-13-23-35(48(39)51-45)33-16-4-3-5-17-33/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine?
N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine has a molecular weight of 653.83 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine is sourced from PubChem (CID 172544770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).