N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine

C55H37N3O2 — CID 164805613

IUPACN-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3c(N(c5ccccc5)c5ccccc5)cccc34)c(-c3ccccc3)c(N(c3ccccc3)c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C55H37N3O2/c1-6-19-38(20-7-1)41-35-47(53(39-21-8-2-9-22-39)50(36-41)58(44-27-14-5-15-28-44)55-56-48-30-16-17-32-51(48)60-55)40-33-34-45-46-29-18-31-49(54(46)59-52(45)37-40)57(42-23-10-3-11-24-42)43-25-12-4-13-26-43/h1-37H
InChIKeyKZZHTHGPWGRUFM-UHFFFAOYSA-N
MW771.92 g/mol
LogP15.67
Rot. Bonds9

About N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine

N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine (PubChem CID 164805613) has the molecular formula C55H37N3O2 and a molecular weight of 771.92 g/mol. Its IUPAC name is N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine
PubChem CID164805613
Molecular FormulaC55H37N3O2
Molecular Weight771.92 g/mol
Exact Mass771.29
IUPAC NameN-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3c(N(c5ccccc5)c5ccccc5)cccc34)c(-c3ccccc3)c(N(c3ccccc3)c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C55H37N3O2/c1-6-19-38(20-7-1)41-35-47(53(39-21-8-2-9-22-39)50(36-41)58(44-27-14-5-15-28-44)55-56-48-30-16-17-32-51(48)60-55)40-33-34-45-46-29-18-31-49(54(46)59-52(45)37-40)57(42-23-10-3-11-24-42)43-25-12-4-13-26-43/h1-37H
InChIKeyKZZHTHGPWGRUFM-UHFFFAOYSA-N
XLogP15.67
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.92
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
17-phenyl-N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050177
7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244414
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177081429
7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170096125
7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433063

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine (CID 164805613) is N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine is c1ccc(-c2cc(-c3ccc4c(c3)oc3c(N(c5ccccc5)c5ccccc5)cccc34)c(-c3ccccc3)c(N(c3ccccc3)c3nc4ccccc4o3)c2)cc1.
What is the InChIKey of N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine?
The InChIKey is KZZHTHGPWGRUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O2/c1-6-19-38(20-7-1)41-35-47(53(39-21-8-2-9-22-39)50(36-41)58(44-27-14-5-15-28-44)55-56-48-30-16-17-32-51(48)60-55)40-33-34-45-46-29-18-31-49(54(46)59-52(45)37-40)57(42-23-10-3-11-24-42)43-25-12-4-13-26-43/h1-37H.
What are the key properties of N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine?
N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine has a molecular weight of 771.92 g/mol, XLogP of 15.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 164805613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).