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

C64H42N2O — CID 170298395

IUPACN-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c23)cc1
InChIInChI=1S/C64H42N2O/c1-3-18-43(19-4-1)51-31-15-20-44-21-16-33-56(63(44)51)53-28-7-10-34-58(53)65(49-26-13-22-45(40-49)46-38-39-55-54-29-9-12-37-61(54)67-62(55)42-46)50-27-14-23-47(41-50)52-32-17-36-60-64(52)57-30-8-11-35-59(57)66(60)48-24-5-2-6-25-48/h1-42H
InChIKeyNGXSITCIVKOBDO-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

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

N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170298395) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170298395
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c23)cc1
InChIInChI=1S/C64H42N2O/c1-3-18-43(19-4-1)51-31-15-20-44-21-16-33-56(63(44)51)53-28-7-10-34-58(53)65(49-26-13-22-45(40-49)46-38-39-55-54-29-9-12-37-61(54)67-62(55)42-46)50-27-14-23-47(41-50)52-32-17-36-60-64(52)57-30-8-11-35-59(57)66(60)48-24-5-2-6-25-48/h1-42H
InChIKeyNGXSITCIVKOBDO-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-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298779
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298823
2-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298543
N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298904
N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298890
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298887
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
N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298522
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298828
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294769
N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 168807443

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170298395) is N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c23)cc1.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is NGXSITCIVKOBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-3-18-43(19-4-1)51-31-15-20-44-21-16-33-56(63(44)51)53-28-7-10-34-58(53)65(49-26-13-22-45(40-49)46-38-39-55-54-29-9-12-37-61(54)67-62(55)42-46)50-27-14-23-47(41-50)52-32-17-36-60-64(52)57-30-8-11-35-59(57)66(60)48-24-5-2-6-25-48/h1-42H.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-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-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170298395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).