9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine

C56H38N2O2 — CID 167128721

IUPAC9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5oc6cc7oc(-c8ccccc8)nc7cc6c5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21
InChIInChI=1S/C56H38N2O2/c1-56(2)47-19-9-8-17-44(47)54-48(56)20-11-21-50(54)58(41-29-24-37(25-30-41)43-18-10-15-36-12-6-7-16-42(36)43)40-27-22-35(23-28-40)39-26-31-51-45(32-39)46-33-49-53(34-52(46)59-51)60-55(57-49)38-13-4-3-5-14-38/h3-34H,1-2H3
InChIKeyUXRSKHVYXKVTOW-UHFFFAOYSA-N
MW770.93 g/mol
LogP15.66
Rot. Bonds6

About 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine (PubChem CID 167128721) has the molecular formula C56H38N2O2 and a molecular weight of 770.93 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine
PubChem CID167128721
Molecular FormulaC56H38N2O2
Molecular Weight770.93 g/mol
Exact Mass770.29
IUPAC Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5oc6cc7oc(-c8ccccc8)nc7cc6c5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21
InChIInChI=1S/C56H38N2O2/c1-56(2)47-19-9-8-17-44(47)54-48(56)20-11-21-50(54)58(41-29-24-37(25-30-41)43-18-10-15-36-12-6-7-16-42(36)43)40-27-22-35(23-28-40)39-26-31-51-45(32-39)46-33-49-53(34-52(46)59-51)60-55(57-49)38-13-4-3-5-14-38/h3-34H,1-2H3
InChIKeyUXRSKHVYXKVTOW-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

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Related Compounds

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-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167127727
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-4-amine
CID 167129875
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170535038
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine
CID 167129831
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine
CID 167129878
2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167127101
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-3-amine
CID 167128874
N-(9,9-dimethylfluoren-4-yl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)phenyl]dibenzothiophen-2-amine
CID 167127556
N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 170263011
9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 170776738
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170776701

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine (CID 167128721) is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5oc6cc7oc(-c8ccccc8)nc7cc6c5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine?
The InChIKey is UXRSKHVYXKVTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O2/c1-56(2)47-19-9-8-17-44(47)54-48(56)20-11-21-50(54)58(41-29-24-37(25-30-41)43-18-10-15-36-12-6-7-16-42(36)43)40-27-22-35(23-28-40)39-26-31-51-45(32-39)46-33-49-53(34-52(46)59-51)60-55(57-49)38-13-4-3-5-14-38/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine?
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-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-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 167128721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).