N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine

C41H26N2O2 — CID 170023425

IUPACN-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4c4oc(-c5ccccc5)nc34)cc2)cc1
InChIInChI=1S/C41H26N2O2/c1-3-11-27(12-4-1)28-19-21-31(22-20-28)43(32-23-24-35-34-17-9-10-18-37(34)44-38(35)26-32)36-25-30-15-7-8-16-33(30)40-39(36)42-41(45-40)29-13-5-2-6-14-29/h1-26H
InChIKeyBZNGXFMTQCAVBP-UHFFFAOYSA-N
MW578.67 g/mol
LogP11.68
Rot. Bonds5

About N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine

N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine (PubChem CID 170023425) has the molecular formula C41H26N2O2 and a molecular weight of 578.67 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine
PubChem CID170023425
Molecular FormulaC41H26N2O2
Molecular Weight578.67 g/mol
Exact Mass578.20
IUPAC NameN-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4c4oc(-c5ccccc5)nc34)cc2)cc1
InChIInChI=1S/C41H26N2O2/c1-3-11-27(12-4-1)28-19-21-31(22-20-28)43(32-23-24-35-34-17-9-10-18-37(34)44-38(35)26-32)36-25-30-15-7-8-16-33(30)40-39(36)42-41(45-40)29-13-5-2-6-14-29/h1-26H
InChIKeyBZNGXFMTQCAVBP-UHFFFAOYSA-N
XLogP11.68
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine
CID 170248031
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 176785778
N-dibenzofuran-3-yl-7-phenyl-N-(4-phenylphenyl)-8-oxa-6-azapentacyclo[11.8.0.02,10.05,9.016,21]henicosa-1(13),2(10),3,5(9),6,11,14,16(21),17,19-decaen-18-amine
CID 176851434
4-phenyl-N,N-bis(4-phenylphenyl)-5-oxa-3-azapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2(6),3,7,9,11,14,16,18,20-decaen-21-amine
CID 170122358
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
CID 167124758
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-6-amine
CID 177119663
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
N-(4-dibenzofuran-3-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743053
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
CID 167124362
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine?
The IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine (CID 170023425) is N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine?
The canonical SMILES for N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4c4oc(-c5ccccc5)nc34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine?
The InChIKey is BZNGXFMTQCAVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O2/c1-3-11-27(12-4-1)28-19-21-31(22-20-28)43(32-23-24-35-34-17-9-10-18-37(34)44-38(35)26-32)36-25-30-15-7-8-16-33(30)40-39(36)42-41(45-40)29-13-5-2-6-14-29/h1-26H.
What are the key properties of N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine?
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine has a molecular weight of 578.67 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine is sourced from PubChem (CID 170023425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).