N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

C64H42N2O — CID 170298481

IUPACN-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4cccc(-c5cccc6oc7ccccc7c56)c4)c23)cc1
InChIInChI=1S/C64H42N2O/c1-3-18-43(19-4-1)50-29-14-20-45-21-15-32-55(62(45)50)53-26-7-10-34-58(53)65(49-25-13-22-46(42-49)51-30-17-37-61-63(51)57-28-9-12-36-60(57)67-61)48-40-38-44(39-41-48)52-31-16-33-56-54-27-8-11-35-59(54)66(64(52)56)47-23-5-2-6-24-47/h1-42H
InChIKeyANBLWXYIZDQLJQ-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170298481) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170298481
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4cccc(-c5cccc6oc7ccccc7c56)c4)c23)cc1
InChIInChI=1S/C64H42N2O/c1-3-18-43(19-4-1)50-29-14-20-45-21-15-32-55(62(45)50)53-26-7-10-34-58(53)65(49-25-13-22-46(42-49)51-30-17-37-61-63(51)57-28-9-12-36-60(57)67-61)48-40-38-44(39-41-48)52-31-16-33-56-54-27-8-11-35-59(54)66(64(52)56)47-23-5-2-6-24-47/h1-42H
InChIKeyANBLWXYIZDQLJQ-UHFFFAOYSA-N
XLogP17.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298887
N-(3-dibenzofuran-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170298498
2-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298543
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298828
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 170300024
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline
CID 155398745
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298779
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503040
N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298395
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298651
N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 164790713
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164790797

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170298481) is N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4cccc(-c5cccc6oc7ccccc7c56)c4)c23)cc1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is ANBLWXYIZDQLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-3-18-43(19-4-1)50-29-14-20-45-21-15-32-55(62(45)50)53-26-7-10-34-58(53)65(49-25-13-22-46(42-49)51-30-17-37-61-63(51)57-28-9-12-36-60(57)67-61)48-40-38-44(39-41-48)52-31-16-33-56-54-27-8-11-35-59(54)66(64(52)56)47-23-5-2-6-24-47/h1-42H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170298481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).