N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine

C68H44N2O2 — CID 167086293

IUPACN-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5ccc6cc(-c7ccccc7)ccc6c5)c5cccc6c5oc5ccccc56)c4)c3)c3cccc4c3oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C68H44N2O2/c1-3-15-45(16-4-1)47-33-36-55(37-34-47)69(63-28-14-27-61-62-43-50-19-7-8-20-51(50)44-66(62)72-68(61)63)56-23-11-21-48(40-56)49-22-12-24-57(41-49)70(64-29-13-26-60-59-25-9-10-30-65(59)71-67(60)64)58-38-35-53-39-52(31-32-54(53)42-58)46-17-5-2-6-18-46/h1-44H
InChIKeySYYXSHVIGHBAIF-UHFFFAOYSA-N
MW921.11 g/mol
LogP19.73
Rot. Bonds9

About N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine

N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 167086293) has the molecular formula C68H44N2O2 and a molecular weight of 921.11 g/mol. Its IUPAC name is N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
PubChem CID167086293
Molecular FormulaC68H44N2O2
Molecular Weight921.11 g/mol
Exact Mass920.34
IUPAC NameN-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5ccc6cc(-c7ccccc7)ccc6c5)c5cccc6c5oc5ccccc56)c4)c3)c3cccc4c3oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C68H44N2O2/c1-3-15-45(16-4-1)47-33-36-55(37-34-47)69(63-28-14-27-61-62-43-50-19-7-8-20-51(50)44-66(62)72-68(61)63)56-23-11-21-48(40-56)49-22-12-24-57(41-49)70(64-29-13-26-60-59-25-9-10-30-65(59)71-67(60)64)58-38-35-53-39-52(31-32-54(53)42-58)46-17-5-2-6-18-46/h1-44H
InChIKeySYYXSHVIGHBAIF-UHFFFAOYSA-N
XLogP19.73
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.11
LogP ≤ 519.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine with MolForge

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Related Compounds

N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 170140380
N-naphthalen-2-yl-N,16-diphenyl-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 171050314
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-phenyl-3-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177080790
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N,2,16-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360798
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
CID 168809708

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (CID 167086293) is N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5ccc6cc(-c7ccccc7)ccc6c5)c5cccc6c5oc5ccccc56)c4)c3)c3cccc4c3oc3cc5ccccc5cc34)cc2)cc1.
What is the InChIKey of N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is SYYXSHVIGHBAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O2/c1-3-15-45(16-4-1)47-33-36-55(37-34-47)69(63-28-14-27-61-62-43-50-19-7-8-20-51(50)44-66(62)72-68(61)63)56-23-11-21-48(40-56)49-22-12-24-57(41-49)70(64-29-13-26-60-59-25-9-10-30-65(59)71-67(60)64)58-38-35-53-39-52(31-32-54(53)42-58)46-17-5-2-6-18-46/h1-44H.
What are the key properties of N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 921.11 g/mol, XLogP of 19.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 167086293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).