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

C46H32N2O2 — CID 167129069

IUPACN-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3c4oc(-c5ccccc5)nc4cc4oc5ccccc5c34)cccc21
InChIInChI=1S/C46H32N2O2/c1-46(2)35-20-11-9-18-33(35)41-36(46)21-13-22-38(41)48(32-26-24-30(25-27-32)29-14-5-3-6-15-29)43-42-34-19-10-12-23-39(34)49-40(42)28-37-44(43)50-45(47-37)31-16-7-4-8-17-31/h3-28H,1-2H3
InChIKeyWVUBQJLOAOAHGB-UHFFFAOYSA-N
MW644.77 g/mol
LogP12.84
Rot. Bonds5

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

N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine (PubChem CID 167129069) has the molecular formula C46H32N2O2 and a molecular weight of 644.77 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
PubChem CID167129069
Molecular FormulaC46H32N2O2
Molecular Weight644.77 g/mol
Exact Mass644.25
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3c4oc(-c5ccccc5)nc4cc4oc5ccccc5c34)cccc21
InChIInChI=1S/C46H32N2O2/c1-46(2)35-20-11-9-18-33(35)41-36(46)21-13-22-38(41)48(32-26-24-30(25-27-32)29-14-5-3-6-15-29)43-42-34-19-10-12-23-39(34)49-40(42)28-37-44(43)50-45(47-37)31-16-7-4-8-17-31/h3-28H,1-2H3
InChIKeyWVUBQJLOAOAHGB-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-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine with MolForge

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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
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
N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631495
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
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
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
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-(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-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine (CID 167129069) is N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3c4oc(-c5ccccc5)nc4cc4oc5ccccc5c34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
The InChIKey is WVUBQJLOAOAHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O2/c1-46(2)35-20-11-9-18-33(35)41-36(46)21-13-22-38(41)48(32-26-24-30(25-27-32)29-14-5-3-6-15-29)43-42-34-19-10-12-23-39(34)49-40(42)28-37-44(43)50-45(47-37)31-16-7-4-8-17-31/h3-28H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-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 N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine is sourced from PubChem (CID 167129069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).