N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline

C72H48N2O — CID 155038015

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-n5c6cccc(-c7ccccc7)c6c6c(-c7ccccc7)cccc65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C72H48N2O/c1-4-17-49(18-5-1)51-37-43-57(44-38-51)73(59-47-41-56(42-48-59)63-27-14-28-65-64-24-11-13-32-69(64)75-72(63)65)58-45-39-52(40-46-58)50-33-35-55(36-34-50)60-23-10-12-29-66(60)74-67-30-15-25-61(53-19-6-2-7-20-53)70(67)71-62(26-16-31-68(71)74)54-21-8-3-9-22-54/h1-48H
InChIKeyAJURSWORUHWJGZ-UHFFFAOYSA-N
MW957.19 g/mol
LogP20.15
Rot. Bonds10

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline (PubChem CID 155038015) has the molecular formula C72H48N2O and a molecular weight of 957.19 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline
PubChem CID155038015
Molecular FormulaC72H48N2O
Molecular Weight957.19 g/mol
Exact Mass956.38
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-n5c6cccc(-c7ccccc7)c6c6c(-c7ccccc7)cccc65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C72H48N2O/c1-4-17-49(18-5-1)51-37-43-57(44-38-51)73(59-47-41-56(42-48-59)63-27-14-28-65-64-24-11-13-32-69(64)75-72(63)65)58-45-39-52(40-46-58)50-33-35-55(36-34-50)60-23-10-12-29-66(60)74-67-30-15-25-61(53-19-6-2-7-20-53)70(67)71-62(26-16-31-68(71)74)54-21-8-3-9-22-54/h1-48H
InChIKeyAJURSWORUHWJGZ-UHFFFAOYSA-N
XLogP20.15
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.19
LogP ≤ 520.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139545181
3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 164724975
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-4-yl-N-phenylaniline
CID 139544485
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
CID 139544656
3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544966
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-9-[2-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164971651
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139544637
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545367
N-[2-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544620
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544595

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline (CID 155038015) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-n5c6cccc(-c7ccccc7)c6c6c(-c7ccccc7)cccc65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline?
The InChIKey is AJURSWORUHWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2O/c1-4-17-49(18-5-1)51-37-43-57(44-38-51)73(59-47-41-56(42-48-59)63-27-14-28-65-64-24-11-13-32-69(64)75-72(63)65)58-45-39-52(40-46-58)50-33-35-55(36-34-50)60-23-10-12-29-66(60)74-67-30-15-25-61(53-19-6-2-7-20-53)70(67)71-62(26-16-31-68(71)74)54-21-8-3-9-22-54/h1-48H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline has a molecular weight of 957.19 g/mol, XLogP of 20.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 155038015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).