N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline

C96H64N4O2 — CID 58510576

IUPACN-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)cc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C96H64N4O2/c1-4-16-75(17-5-1)97(80-55-38-70(39-56-80)73-42-59-88-86-23-11-14-26-93(86)101-95(88)63-73)78-45-28-65(29-46-78)67-32-49-82(50-33-67)99(84-53-36-69(37-54-84)72-44-61-92-90(62-72)85-22-10-13-25-91(85)100(92)77-20-8-3-9-21-77)83-51-34-68(35-52-83)66-30-47-79(48-31-66)98(76-18-6-2-7-19-76)81-57-40-71(41-58-81)74-43-60-89-87-24-12-15-27-94(87)102-96(89)64-74/h1-64H
InChIKeyFKTRPJYCRGREHV-UHFFFAOYSA-N
MW1305.59 g/mol
LogP27.33
Rot. Bonds15

About N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline

N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline (PubChem CID 58510576) has the molecular formula C96H64N4O2 and a molecular weight of 1305.59 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline
PubChem CID58510576
Molecular FormulaC96H64N4O2
Molecular Weight1305.59 g/mol
Exact Mass1304.50
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)cc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C96H64N4O2/c1-4-16-75(17-5-1)97(80-55-38-70(39-56-80)73-42-59-88-86-23-11-14-26-93(86)101-95(88)63-73)78-45-28-65(29-46-78)67-32-49-82(50-33-67)99(84-53-36-69(37-54-84)72-44-61-92-90(62-72)85-22-10-13-25-91(85)100(92)77-20-8-3-9-21-77)83-51-34-68(35-52-83)66-30-47-79(48-31-66)98(76-18-6-2-7-19-76)81-57-40-71(41-58-81)74-43-60-89-87-24-12-15-27-94(87)102-96(89)64-74/h1-64H
InChIKeyFKTRPJYCRGREHV-UHFFFAOYSA-N
XLogP27.33
TPSA40.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001305.59
LogP ≤ 527.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline (CID 58510576) is N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)cc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline?
The InChIKey is FKTRPJYCRGREHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H64N4O2/c1-4-16-75(17-5-1)97(80-55-38-70(39-56-80)73-42-59-88-86-23-11-14-26-93(86)101-95(88)63-73)78-45-28-65(29-46-78)67-32-49-82(50-33-67)99(84-53-36-69(37-54-84)72-44-61-92-90(62-72)85-22-10-13-25-91(85)100(92)77-20-8-3-9-21-77)83-51-34-68(35-52-83)66-30-47-79(48-31-66)98(76-18-6-2-7-19-76)81-57-40-71(41-58-81)74-43-60-89-87-24-12-15-27-94(87)102-96(89)64-74/h1-64H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline?
N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline has a molecular weight of 1305.59 g/mol, XLogP of 27.33, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-4-[4-[4-[4-(N-(4-dibenzofuran-3-ylphenyl)anilino)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]-N-phenylaniline is sourced from PubChem (CID 58510576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).