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

C64H42N2O — CID 170298828

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c23)cc1
InChIInChI=1S/C64H42N2O/c1-3-18-44(19-4-1)49-28-15-20-45-21-16-29-55(63(45)49)50-24-7-11-32-58(50)65(48-39-36-43(37-40-48)46-38-41-54-53-27-10-14-35-61(53)67-62(54)42-46)59-33-12-8-25-51(59)56-30-17-31-57-52-26-9-13-34-60(52)66(64(56)57)47-22-5-2-6-23-47/h1-42H
InChIKeyYRJWCUNTZGZVEY-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

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

N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170298828) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170298828
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c23)cc1
InChIInChI=1S/C64H42N2O/c1-3-18-44(19-4-1)49-28-15-20-45-21-16-29-55(63(45)49)50-24-7-11-32-58(50)65(48-39-36-43(37-40-48)46-38-41-54-53-27-10-14-35-61(53)67-62(54)42-46)59-33-12-8-25-51(59)56-30-17-31-57-52-26-9-13-34-60(52)66(64(56)57)47-22-5-2-6-23-47/h1-42H
InChIKeyYRJWCUNTZGZVEY-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-(4-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298823
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379960
N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298890
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-(2-dibenzofuran-4-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298442
N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298904
N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298395
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-[2-(2-phenylphenyl)phenyl]aniline
CID 153314987

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170298828) is N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c23)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is YRJWCUNTZGZVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-3-18-44(19-4-1)49-28-15-20-45-21-16-29-55(63(45)49)50-24-7-11-32-58(50)65(48-39-36-43(37-40-48)46-38-41-54-53-27-10-14-35-61(53)67-62(54)42-46)59-33-12-8-25-51(59)56-30-17-31-57-52-26-9-13-34-60(52)66(64(56)57)47-22-5-2-6-23-47/h1-42H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(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-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170298828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).