4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C96H62N4O2 — CID 58510679

IUPAC4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6)cc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C96H62N4O2/c1-3-16-72(17-4-1)99-89-26-11-7-20-81(89)87-60-69(43-58-91(87)99)65-34-49-76(50-35-65)97(77-51-36-66(37-52-77)70-44-59-92-88(61-70)82-21-8-12-27-90(82)100(92)73-18-5-2-6-19-73)74-45-30-63(31-46-74)64-32-47-75(48-33-64)98(78-53-38-67(39-54-78)71-42-57-85-83-22-9-13-28-93(83)101-95(85)62-71)79-55-40-68(41-56-79)80-24-15-25-86-84-23-10-14-29-94(84)102-96(80)86/h1-62H
InChIKeyWPVWYOMAAMOHIB-UHFFFAOYSA-N
MW1303.58 g/mol
LogP26.95
Rot. Bonds13

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

4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 58510679) has the molecular formula C96H62N4O2 and a molecular weight of 1303.58 g/mol. Its IUPAC name is 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID58510679
Molecular FormulaC96H62N4O2
Molecular Weight1303.58 g/mol
Exact Mass1302.49
IUPAC Name4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6)cc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C96H62N4O2/c1-3-16-72(17-4-1)99-89-26-11-7-20-81(89)87-60-69(43-58-91(87)99)65-34-49-76(50-35-65)97(77-51-36-66(37-52-77)70-44-59-92-88(61-70)82-21-8-12-27-90(82)100(92)73-18-5-2-6-19-73)74-45-30-63(31-46-74)64-32-47-75(48-33-64)98(78-53-38-67(39-54-78)71-42-57-85-83-22-9-13-28-93(83)101-95(85)62-71)79-55-40-68(41-56-79)80-24-15-25-86-84-23-10-14-29-94(84)102-96(80)86/h1-62H
InChIKeyWPVWYOMAAMOHIB-UHFFFAOYSA-N
XLogP26.95
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001303.58
LogP ≤ 526.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 58510679) is 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6)cc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is WPVWYOMAAMOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H62N4O2/c1-3-16-72(17-4-1)99-89-26-11-7-20-81(89)87-60-69(43-58-91(87)99)65-34-49-76(50-35-65)97(77-51-36-66(37-52-77)70-44-59-92-88(61-70)82-21-8-12-27-90(82)100(92)73-18-5-2-6-19-73)74-45-30-63(31-46-74)64-32-47-75(48-33-64)98(78-53-38-67(39-54-78)71-42-57-85-83-22-9-13-28-93(83)101-95(85)62-71)79-55-40-68(41-56-79)80-24-15-25-86-84-23-10-14-29-94(84)102-96(80)86/h1-62H.
What are the key properties of 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 1303.58 g/mol, XLogP of 26.95, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 58510679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).