N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine

C46H32N2O2 — CID 167128802

IUPACN-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5cc6nc(-c7ccccc7)oc6cc5c4c3)ccc21
InChIInChI=1S/C46H32N2O2/c1-46(2)39-19-10-9-18-35(39)36-25-33(20-22-40(36)46)48(32-17-11-16-31(24-32)29-12-5-3-6-13-29)34-21-23-42-37(26-34)38-27-44-41(28-43(38)49-42)47-45(50-44)30-14-7-4-8-15-30/h3-28H,1-2H3
InChIKeyKDIJXOXTNWYPPI-UHFFFAOYSA-N
MW644.77 g/mol
LogP12.84
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine

N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine (PubChem CID 167128802) has the molecular formula C46H32N2O2 and a molecular weight of 644.77 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
PubChem CID167128802
Molecular FormulaC46H32N2O2
Molecular Weight644.77 g/mol
Exact Mass644.25
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5cc6nc(-c7ccccc7)oc6cc5c4c3)ccc21
InChIInChI=1S/C46H32N2O2/c1-46(2)39-19-10-9-18-35(39)36-25-33(20-22-40(36)46)48(32-17-11-16-31(24-32)29-12-5-3-6-13-29)34-21-23-42-37(26-34)38-27-44-41(28-43(38)49-42)47-45(50-44)30-14-7-4-8-15-30/h3-28H,1-2H3
InChIKeyKDIJXOXTNWYPPI-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

Analyze N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731471
3-N-dibenzofuran-2-yl-3-N-[4-(9,9-dimethylindeno[1,2-f][1,3]benzoxazol-2-yl)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 172504242
9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 167128842
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-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128961
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
N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128692
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-3-yl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-5-yl)phenyl]dibenzothiophen-3-amine
CID 167129229
3-N-(9,9-dimethyl-2-phenylindeno[1,2-f][1,3]benzoxazol-6-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 172504447
N-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779052

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine (CID 167128802) is N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5cc6nc(-c7ccccc7)oc6cc5c4c3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
The InChIKey is KDIJXOXTNWYPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O2/c1-46(2)39-19-10-9-18-35(39)36-25-33(20-22-40(36)46)48(32-17-11-16-31(24-32)29-12-5-3-6-13-29)34-21-23-42-37(26-34)38-27-44-41(28-43(38)49-42)47-45(50-44)30-14-7-4-8-15-30/h3-28H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-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 N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine is sourced from PubChem (CID 167128802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).