N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline

C66H44N2O — CID 153314848

IUPACN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c3ccccc3-c3ccc4c(c3)oc3cc(-c5ccccc5)ccc34)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-3-14-45(15-4-1)48-30-36-54(37-31-48)67(62-23-10-7-20-57(62)53-35-41-61-60-40-34-52(46-16-5-2-6-17-46)43-65(60)69-66(61)44-53)55-38-32-49(33-39-55)47-26-28-50(29-27-47)51-18-13-19-56(42-51)68-63-24-11-8-21-58(63)59-22-9-12-25-64(59)68/h1-44H
InChIKeyPBIPJORRBFSNQO-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

About N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline (PubChem CID 153314848) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline
PubChem CID153314848
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c3ccccc3-c3ccc4c(c3)oc3cc(-c5ccccc5)ccc34)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-3-14-45(15-4-1)48-30-36-54(37-31-48)67(62-23-10-7-20-57(62)53-35-41-61-60-40-34-52(46-16-5-2-6-17-46)43-65(60)69-66(61)44-53)55-38-32-49(33-39-55)47-26-28-50(29-27-47)51-18-13-19-56(42-51)68-63-24-11-8-21-58(63)59-22-9-12-25-64(59)68/h1-44H
InChIKeyPBIPJORRBFSNQO-UHFFFAOYSA-N
XLogP18.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.09
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315203
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[2-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315098
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[2-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314942
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 149242744
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153315084
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153314933
N-(3-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 153315196
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314660
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 153314977
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 155398414
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
CID 153314728
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(2-naphthalen-1-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenylphenyl)aniline
CID 158595337

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline (CID 153314848) is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c3ccccc3-c3ccc4c(c3)oc3cc(-c5ccccc5)ccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is PBIPJORRBFSNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-3-14-45(15-4-1)48-30-36-54(37-31-48)67(62-23-10-7-20-57(62)53-35-41-61-60-40-34-52(46-16-5-2-6-17-46)43-65(60)69-66(61)44-53)55-38-32-49(33-39-55)47-26-28-50(29-27-47)51-18-13-19-56(42-51)68-63-24-11-8-21-58(63)59-22-9-12-25-64(59)68/h1-44H.
What are the key properties of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline?
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 881.09 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 153314848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).