N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine

C94H54N4O6 — CID 167128817

IUPACN-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2cc(N(c3ccc(-c5cccc6cc(-c7cccc(-c8nc9cc%10oc%11cc(N(c%12ccc(-c%13cccc%14ccccc%13%14)cc%12)c%12ccc%13c(c%12)oc%12ccccc%12%13)ccc%11c%10cc9o8)c7)ccc56)cc3)c3cccc5c3oc3ccccc35)ccc24)cc1
InChIInChI=1S/C94H54N4O6/c1-2-15-58(16-3-1)93-95-80-51-78-75-45-41-67(50-87(75)101-89(78)54-91(80)104-93)98(82-27-13-26-77-73-23-7-9-29-84(73)102-92(77)82)64-37-32-57(33-38-64)70-25-12-19-61-46-60(34-42-71(61)70)59-18-10-20-62(47-59)94-96-81-53-88-79(52-90(81)103-94)76-44-40-66(49-86(76)100-88)97(65-39-43-74-72-22-6-8-28-83(72)99-85(74)48-65)63-35-30-56(31-36-63)69-24-11-17-55-14-4-5-21-68(55)69/h1-54H
InChIKeyKZKHPSPNEVBONZ-UHFFFAOYSA-N
MW1335.49 g/mol
LogP27.15
Rot. Bonds11

About N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine

N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine (PubChem CID 167128817) has the molecular formula C94H54N4O6 and a molecular weight of 1335.49 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
PubChem CID167128817
Molecular FormulaC94H54N4O6
Molecular Weight1335.49 g/mol
Exact Mass1334.40
IUPAC NameN-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2cc(N(c3ccc(-c5cccc6cc(-c7cccc(-c8nc9cc%10oc%11cc(N(c%12ccc(-c%13cccc%14ccccc%13%14)cc%12)c%12ccc%13c(c%12)oc%12ccccc%12%13)ccc%11c%10cc9o8)c7)ccc56)cc3)c3cccc5c3oc3ccccc35)ccc24)cc1
InChIInChI=1S/C94H54N4O6/c1-2-15-58(16-3-1)93-95-80-51-78-75-45-41-67(50-87(75)101-89(78)54-91(80)104-93)98(82-27-13-26-77-73-23-7-9-29-84(73)102-92(77)82)64-37-32-57(33-38-64)70-25-12-19-61-46-60(34-42-71(61)70)59-18-10-20-62(47-59)94-96-81-53-88-79(52-90(81)103-94)76-44-40-66(49-86(76)100-88)97(65-39-43-74-72-22-6-8-28-83(72)99-85(74)48-65)63-35-30-56(31-36-63)69-24-11-17-55-14-4-5-21-68(55)69/h1-54H
InChIKeyKZKHPSPNEVBONZ-UHFFFAOYSA-N
XLogP27.15
TPSA111.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.49
LogP ≤ 527.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167127303
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
CID 170776922
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167127200
N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]-N-(2-phenylphenyl)phenanthren-2-amine
CID 167127169
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167127217
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170776701
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine
CID 167127715
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081573
N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-5-yl)phenyl]-N-(2-phenylphenyl)phenanthren-2-amine
CID 167128485
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167127280
N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)phenanthren-3-amine
CID 167129332
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 170776846

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
The IUPAC name of N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine (CID 167128817) is N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
The canonical SMILES for N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine is c1ccc(-c2nc3cc4c(cc3o2)oc2cc(N(c3ccc(-c5cccc6cc(-c7cccc(-c8nc9cc%10oc%11cc(N(c%12ccc(-c%13cccc%14ccccc%13%14)cc%12)c%12ccc%13c(c%12)oc%12ccccc%12%13)ccc%11c%10cc9o8)c7)ccc56)cc3)c3cccc5c3oc3ccccc35)ccc24)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
The InChIKey is KZKHPSPNEVBONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H54N4O6/c1-2-15-58(16-3-1)93-95-80-51-78-75-45-41-67(50-87(75)101-89(78)54-91(80)104-93)98(82-27-13-26-77-73-23-7-9-29-84(73)102-92(77)82)64-37-32-57(33-38-64)70-25-12-19-61-46-60(34-42-71(61)70)59-18-10-20-62(47-59)94-96-81-53-88-79(52-90(81)103-94)76-44-40-66(49-86(76)100-88)97(65-39-43-74-72-22-6-8-28-83(72)99-85(74)48-65)63-35-30-56(31-36-63)69-24-11-17-55-14-4-5-21-68(55)69/h1-54H.
What are the key properties of N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine has a molecular weight of 1335.49 g/mol, XLogP of 27.15, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine is sourced from PubChem (CID 167128817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).