N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine

C106H66N2O2 — CID 170014502

IUPACN-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1cc(-c2ccccc2N(c2ccc(-c3ccc4c5ccc(-c6cccc7c(-c8cccc(-c9ccccc9N(c9ccc%10c(ccc%11ccccc%11%10)c9)c9cccc%10c9oc9ccccc9%10)c8)cccc67)cc5c5ccccc5c4c3)cc2)c2cccc3c2oc2ccccc23)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C106H66N2O2/c1-3-29-79-68(22-1)24-17-37-81(79)71-25-15-27-73(62-71)85-31-7-11-44-99(85)107(101-46-20-42-95-93-35-9-13-48-103(93)109-105(95)101)77-56-52-67(53-57-77)70-54-59-91-92-60-55-76(66-98(92)90-34-6-5-33-89(90)97(91)65-70)83-39-19-40-87-82(38-18-41-88(83)87)72-26-16-28-74(63-72)86-32-8-12-45-100(86)108(102-47-21-43-96-94-36-10-14-49-104(94)110-106(96)102)78-58-61-84-75(64-78)51-50-69-23-2-4-30-80(69)84/h1-66H
InChIKeyIZQXBPLDNYTWTF-UHFFFAOYSA-N
MW1399.71 g/mol
LogP30.50
Rot. Bonds12

About N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine

N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 170014502) has the molecular formula C106H66N2O2 and a molecular weight of 1399.71 g/mol. Its IUPAC name is N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID170014502
Molecular FormulaC106H66N2O2
Molecular Weight1399.71 g/mol
Exact Mass1398.51
IUPAC NameN-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1cc(-c2ccccc2N(c2ccc(-c3ccc4c5ccc(-c6cccc7c(-c8cccc(-c9ccccc9N(c9ccc%10c(ccc%11ccccc%11%10)c9)c9cccc%10c9oc9ccccc9%10)c8)cccc67)cc5c5ccccc5c4c3)cc2)c2cccc3c2oc2ccccc23)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C106H66N2O2/c1-3-29-79-68(22-1)24-17-37-81(79)71-25-15-27-73(62-71)85-31-7-11-44-99(85)107(101-46-20-42-95-93-35-9-13-48-103(93)109-105(95)101)77-56-52-67(53-57-77)70-54-59-91-92-60-55-76(66-98(92)90-34-6-5-33-89(90)97(91)65-70)83-39-19-40-87-82(38-18-41-88(83)87)72-26-16-28-74(63-72)86-32-8-12-45-100(86)108(102-47-21-43-96-94-36-10-14-49-104(94)110-106(96)102)78-58-61-84-75(64-78)51-50-69-23-2-4-30-80(69)84/h1-66H
InChIKeyIZQXBPLDNYTWTF-UHFFFAOYSA-N
XLogP30.50
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001399.71
LogP ≤ 530.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine with MolForge

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Related Compounds

N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170014571
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174281108
N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine
CID 174285658
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-4-amine
CID 166939558
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 155374438
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 174273290
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 159519229

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine (CID 170014502) is N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine is c1cc(-c2ccccc2N(c2ccc(-c3ccc4c5ccc(-c6cccc7c(-c8cccc(-c9ccccc9N(c9ccc%10c(ccc%11ccccc%11%10)c9)c9cccc%10c9oc9ccccc9%10)c8)cccc67)cc5c5ccccc5c4c3)cc2)c2cccc3c2oc2ccccc23)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is IZQXBPLDNYTWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H66N2O2/c1-3-29-79-68(22-1)24-17-37-81(79)71-25-15-27-73(62-71)85-31-7-11-44-99(85)107(101-46-20-42-95-93-35-9-13-48-103(93)109-105(95)101)77-56-52-67(53-57-77)70-54-59-91-92-60-55-76(66-98(92)90-34-6-5-33-89(90)97(91)65-70)83-39-19-40-87-82(38-18-41-88(83)87)72-26-16-28-74(63-72)86-32-8-12-45-100(86)108(102-47-21-43-96-94-36-10-14-49-104(94)110-106(96)102)78-58-61-84-75(64-78)51-50-69-23-2-4-30-80(69)84/h1-66H.
What are the key properties of N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine?
N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 1399.71 g/mol, XLogP of 30.50, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 170014502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).