9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine

C56H38N2O2 — CID 167129534

IUPAC9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4c5oc(-c6ccccc6)nc5cc5oc6ccccc6c45)cc3)c3cccc(-c4cccc5ccccc45)c3)ccc21
InChIInChI=1S/C56H38N2O2/c1-56(2)47-24-10-8-21-44(47)46-33-41(30-31-48(46)56)58(40-19-12-18-38(32-40)43-23-13-17-35-14-6-7-20-42(35)43)39-28-26-36(27-29-39)52-53-45-22-9-11-25-50(45)59-51(53)34-49-54(52)60-55(57-49)37-15-4-3-5-16-37/h3-34H,1-2H3
InChIKeyTZMMKTPKAALKJR-UHFFFAOYSA-N
MW770.93 g/mol
LogP15.66
Rot. Bonds6

About 9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine

9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine (PubChem CID 167129534) has the molecular formula C56H38N2O2 and a molecular weight of 770.93 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine
PubChem CID167129534
Molecular FormulaC56H38N2O2
Molecular Weight770.93 g/mol
Exact Mass770.29
IUPAC Name9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4c5oc(-c6ccccc6)nc5cc5oc6ccccc6c45)cc3)c3cccc(-c4cccc5ccccc45)c3)ccc21
InChIInChI=1S/C56H38N2O2/c1-56(2)47-24-10-8-21-44(47)46-33-41(30-31-48(46)56)58(40-19-12-18-38(32-40)43-23-13-17-35-14-6-7-20-42(35)43)39-28-26-36(27-29-39)52-53-45-22-9-11-25-50(45)59-51(53)34-49-54(52)60-55(57-49)37-15-4-3-5-16-37/h3-34H,1-2H3
InChIKeyTZMMKTPKAALKJR-UHFFFAOYSA-N
XLogP15.66
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.93
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine with MolForge

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Related Compounds

N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline
CID 134392877
9,9-dimethyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-3-amine
CID 170028240
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
CID 167127147
N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
CID 167129069
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine
CID 164799796
N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128802
7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 155473489
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-3-amine
CID 170776627
N,2,4-triphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]aniline
CID 167128026
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 169039560

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine (CID 167129534) is 9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4c5oc(-c6ccccc6)nc5cc5oc6ccccc6c45)cc3)c3cccc(-c4cccc5ccccc45)c3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine?
The InChIKey is TZMMKTPKAALKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O2/c1-56(2)47-24-10-8-21-44(47)46-33-41(30-31-48(46)56)58(40-19-12-18-38(32-40)43-23-13-17-35-14-6-7-20-42(35)43)39-28-26-36(27-29-39)52-53-45-22-9-11-25-50(45)59-51(53)34-49-54(52)60-55(57-49)37-15-4-3-5-16-37/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine?
9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine has a molecular weight of 770.93 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-4-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 167129534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).