7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine

C100H60N2O4 — CID 167259564

IUPAC7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2ccc(-c3cccc4c3oc3ccc(-c5ccc6c(c5)oc5cccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccccc7-c7cc8ccccc8c8ccccc78)c56)cc34)cc2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C100H60N2O4/c1-3-24-71-66(20-1)58-85(77-28-7-5-26-75(71)77)65-22-15-23-70(56-65)101(89-38-18-42-94-97(89)83-32-11-14-41-92(83)103-94)68-50-44-61(45-51-68)74-34-17-36-82-87-57-63(49-55-93(87)106-100(74)82)64-48-54-84-96(60-64)104-95-43-19-39-90(98(84)95)102(69-52-46-62(47-53-69)73-33-16-35-81-80-31-10-13-40-91(80)105-99(73)81)88-37-12-9-30-79(88)86-59-67-21-2-4-25-72(67)76-27-6-8-29-78(76)86/h1-60H
InChIKeyNYZSTUBGPBIGOF-UHFFFAOYSA-N
MW1353.59 g/mol
LogP29.17
Rot. Bonds11

About 7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine

7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine (PubChem CID 167259564) has the molecular formula C100H60N2O4 and a molecular weight of 1353.59 g/mol. Its IUPAC name is 7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine
PubChem CID167259564
Molecular FormulaC100H60N2O4
Molecular Weight1353.59 g/mol
Exact Mass1352.46
IUPAC Name7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2ccc(-c3cccc4c3oc3ccc(-c5ccc6c(c5)oc5cccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccccc7-c7cc8ccccc8c8ccccc78)c56)cc34)cc2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C100H60N2O4/c1-3-24-71-66(20-1)58-85(77-28-7-5-26-75(71)77)65-22-15-23-70(56-65)101(89-38-18-42-94-97(89)83-32-11-14-41-92(83)103-94)68-50-44-61(45-51-68)74-34-17-36-82-87-57-63(49-55-93(87)106-100(74)82)64-48-54-84-96(60-64)104-95-43-19-39-90(98(84)95)102(69-52-46-62(47-53-69)73-33-16-35-81-80-31-10-13-40-91(80)105-99(73)81)88-37-12-9-30-79(88)86-59-67-21-2-4-25-72(67)76-27-6-8-29-78(76)86/h1-60H
InChIKeyNYZSTUBGPBIGOF-UHFFFAOYSA-N
XLogP29.17
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001353.59
LogP ≤ 529.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine with MolForge

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Related Compounds

N-(3-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737741
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397171
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186610
N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 163411525
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 167330620
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326166
N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186908
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822
N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234646
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 158761116
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzofuran-1-amine
CID 167144315
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186570

Frequently Asked Questions

What is the IUPAC name of 7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine (CID 167259564) is 7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine is c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2ccc(-c3cccc4c3oc3ccc(-c5ccc6c(c5)oc5cccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccccc7-c7cc8ccccc8c8ccccc78)c56)cc34)cc2)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine?
The InChIKey is NYZSTUBGPBIGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H60N2O4/c1-3-24-71-66(20-1)58-85(77-28-7-5-26-75(71)77)65-22-15-23-70(56-65)101(89-38-18-42-94-97(89)83-32-11-14-41-92(83)103-94)68-50-44-61(45-51-68)74-34-17-36-82-87-57-63(49-55-93(87)106-100(74)82)64-48-54-84-96(60-64)104-95-43-19-39-90(98(84)95)102(69-52-46-62(47-53-69)73-33-16-35-81-80-31-10-13-40-91(80)105-99(73)81)88-37-12-9-30-79(88)86-59-67-21-2-4-25-72(67)76-27-6-8-29-78(76)86/h1-60H.
What are the key properties of 7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine?
7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine has a molecular weight of 1353.59 g/mol, XLogP of 29.17, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[4-(N-dibenzofuran-1-yl-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 167259564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).