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

C96H62N4O2 — CID 58510764

IUPACN-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)cc5)c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4)ccc32)cc1
InChIInChI=1S/C96H62N4O2/c1-3-15-73(16-4-1)99-89-23-11-7-19-81(89)87-59-69(41-57-91(87)99)65-31-47-77(48-32-65)97(79-51-35-67(36-52-79)71-39-55-85-83-21-9-13-25-93(83)101-95(85)61-71)75-43-27-63(28-44-75)64-29-45-76(46-30-64)98(80-53-37-68(38-54-80)72-40-56-86-84-22-10-14-26-94(84)102-96(86)62-72)78-49-33-66(34-50-78)70-42-58-92-88(60-70)82-20-8-12-24-90(82)100(92)74-17-5-2-6-18-74/h1-62H
InChIKeyAQLBOWJFSQYJIL-UHFFFAOYSA-N
MW1303.58 g/mol
LogP26.95
Rot. Bonds13

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

N-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 58510764) has the molecular formula C96H62N4O2 and a molecular weight of 1303.58 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID58510764
Molecular FormulaC96H62N4O2
Molecular Weight1303.58 g/mol
Exact Mass1302.49
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)cc5)c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4)ccc32)cc1
InChIInChI=1S/C96H62N4O2/c1-3-15-73(16-4-1)99-89-23-11-7-19-81(89)87-59-69(41-57-91(87)99)65-31-47-77(48-32-65)97(79-51-35-67(36-52-79)71-39-55-85-83-21-9-13-25-93(83)101-95(85)61-71)75-43-27-63(28-44-75)64-29-45-76(46-30-64)98(80-53-37-68(38-54-80)72-40-56-86-84-22-10-14-26-94(84)102-96(86)62-72)78-49-33-66(34-50-78)70-42-58-92-88(60-70)82-20-8-12-24-90(82)100(92)74-17-5-2-6-18-74/h1-62H
InChIKeyAQLBOWJFSQYJIL-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

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 58510764) is N-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)cc5)c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4)ccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is AQLBOWJFSQYJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H62N4O2/c1-3-15-73(16-4-1)99-89-23-11-7-19-81(89)87-59-69(41-57-91(87)99)65-31-47-77(48-32-65)97(79-51-35-67(36-52-79)71-39-55-85-83-21-9-13-25-93(83)101-95(85)61-71)75-43-27-63(28-44-75)64-29-45-76(46-30-64)98(80-53-37-68(38-54-80)72-40-56-86-84-22-10-14-26-94(84)102-96(86)62-72)78-49-33-66(34-50-78)70-42-58-92-88(60-70)82-20-8-12-24-90(82)100(92)74-17-5-2-6-18-74/h1-62H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
N-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[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 N-(4-dibenzofuran-3-ylphenyl)-4-[4-[N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 58510764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).