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

C64H42N2O — CID 170298779

IUPACN-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c23)cc1
InChIInChI=1S/C64H42N2O/c1-3-17-43(18-4-1)52-30-15-19-44-20-16-31-56(64(44)52)53-27-7-10-32-59(53)65(51-26-14-22-46(40-51)48-36-38-63-58(42-48)55-29-9-12-34-62(55)67-63)50-25-13-21-45(39-50)47-35-37-61-57(41-47)54-28-8-11-33-60(54)66(61)49-23-5-2-6-24-49/h1-42H
InChIKeySMNZODQNGNFHNP-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

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

N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170298779) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170298779
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c23)cc1
InChIInChI=1S/C64H42N2O/c1-3-17-43(18-4-1)52-30-15-19-44-20-16-31-56(64(44)52)53-27-7-10-32-59(53)65(51-26-14-22-46(40-51)48-36-38-63-58(42-48)55-29-9-12-34-62(55)67-63)50-25-13-21-45(39-50)47-35-37-61-57(41-47)54-28-8-11-33-60(54)66(61)49-23-5-2-6-24-49/h1-42H
InChIKeySMNZODQNGNFHNP-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-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298823
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298890
2-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298543
N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298395
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300509
N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298904
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481
bis(N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine);N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 158442979
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298887
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170298779) is N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c23)cc1.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is SMNZODQNGNFHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-3-17-43(18-4-1)52-30-15-19-44-20-16-31-56(64(44)52)53-27-7-10-32-59(53)65(51-26-14-22-46(40-51)48-36-38-63-58(42-48)55-29-9-12-34-62(55)67-63)50-25-13-21-45(39-50)47-35-37-61-57(41-47)54-28-8-11-33-60(54)66(61)49-23-5-2-6-24-49/h1-42H.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-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-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170298779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).