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

C46H32N2O2 — CID 167129797

IUPAC9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4c5nc(-c6ccccc6)oc5cc5oc6ccccc6c45)cc3)cccc21
InChIInChI=1S/C46H32N2O2/c1-46(2)35-20-11-9-18-33(35)42-36(46)21-13-22-37(42)48(31-16-7-4-8-17-31)32-26-24-29(25-27-32)41-43-34-19-10-12-23-38(34)49-39(43)28-40-44(41)47-45(50-40)30-14-5-3-6-15-30/h3-28H,1-2H3
InChIKeyIDPHSBJTEMLCMT-UHFFFAOYSA-N
MW644.77 g/mol
LogP12.84
Rot. Bonds5

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

9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine (PubChem CID 167129797) has the molecular formula C46H32N2O2 and a molecular weight of 644.77 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine
PubChem CID167129797
Molecular FormulaC46H32N2O2
Molecular Weight644.77 g/mol
Exact Mass644.25
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4c5nc(-c6ccccc6)oc5cc5oc6ccccc6c45)cc3)cccc21
InChIInChI=1S/C46H32N2O2/c1-46(2)35-20-11-9-18-33(35)42-36(46)21-13-22-37(42)48(31-16-7-4-8-17-31)32-26-24-29(25-27-32)41-43-34-19-10-12-23-38(34)49-39(43)28-40-44(41)47-45(50-40)30-14-5-3-6-15-30/h3-28H,1-2H3
InChIKeyIDPHSBJTEMLCMT-UHFFFAOYSA-N
XLogP12.84
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.77
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 170263011
N-(9,9-dimethylfluoren-4-yl)-N-(3-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167129070
2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167128442
N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
CID 167129069
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 167128436
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
CID 170036685
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
CID 176785645
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[2-[1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138481428
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 170776899
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine (CID 167129797) is 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4c5nc(-c6ccccc6)oc5cc5oc6ccccc6c45)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine?
The InChIKey is IDPHSBJTEMLCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O2/c1-46(2)35-20-11-9-18-33(35)42-36(46)21-13-22-37(42)48(31-16-7-4-8-17-31)32-26-24-29(25-27-32)41-43-34-19-10-12-23-38(34)49-39(43)28-40-44(41)47-45(50-40)30-14-5-3-6-15-30/h3-28H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine?
9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine has a molecular weight of 644.77 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 167129797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).