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

C46H32N2O2 — CID 170263011

IUPACN-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5c(ccc6oc7ccccc7c65)o4)cc3)cccc21
InChIInChI=1S/C46H32N2O2/c1-46(2)36-15-8-6-13-34(36)42-37(46)16-10-17-38(42)48(32-23-19-30(20-24-32)29-11-4-3-5-12-29)33-25-21-31(22-26-33)45-47-44-41(50-45)28-27-40-43(44)35-14-7-9-18-39(35)49-40/h3-28H,1-2H3
InChIKeyLXDJKKMDHKWNOX-UHFFFAOYSA-N
MW644.77 g/mol
LogP12.84
Rot. Bonds5

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

N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 170263011) has the molecular formula C46H32N2O2 and a molecular weight of 644.77 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID170263011
Molecular FormulaC46H32N2O2
Molecular Weight644.77 g/mol
Exact Mass644.25
IUPAC NameN-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5c(ccc6oc7ccccc7c65)o4)cc3)cccc21
InChIInChI=1S/C46H32N2O2/c1-46(2)36-15-8-6-13-34(36)42-37(46)16-10-17-38(42)48(32-23-19-30(20-24-32)29-11-4-3-5-12-29)33-25-21-31(22-26-33)45-47-44-41(50-45)28-27-40-43(44)35-14-7-9-18-39(35)49-40/h3-28H,1-2H3
InChIKeyLXDJKKMDHKWNOX-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-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-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

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-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
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)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
CID 167129069
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
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
CID 176785645
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)-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-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
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

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (CID 170263011) is N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5c(ccc6oc7ccccc7c65)o4)cc3)cccc21.
What is the InChIKey of N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is LXDJKKMDHKWNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O2/c1-46(2)36-15-8-6-13-34(36)42-37(46)16-10-17-38(42)48(32-23-19-30(20-24-32)29-11-4-3-5-12-29)33-25-21-31(22-26-33)45-47-44-41(50-45)28-27-40-43(44)35-14-7-9-18-39(35)49-40/h3-28H,1-2H3.
What are the key properties of N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)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 N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 170263011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).