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

C66H45NO — CID 170302579

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccccc4-c4cccc5c4oc4ccccc45)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21
InChIInChI=1S/C66H45NO/c1-66(47-24-6-3-7-25-47)58-35-12-8-29-57(58)64-50(31-19-36-59(64)66)45-40-42-48(43-41-45)67(61-38-14-10-27-52(61)55-33-18-34-56-53-28-11-15-39-62(53)68-65(55)56)60-37-13-9-26-51(60)54-32-17-23-46-22-16-30-49(63(46)54)44-20-4-2-5-21-44/h2-43H,1H3
InChIKeyOQHVJJPVRCRYKU-UHFFFAOYSA-N
MW868.09 g/mol
LogP18.21
Rot. Bonds8

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

N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170302579) has the molecular formula C66H45NO and a molecular weight of 868.09 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170302579
Molecular FormulaC66H45NO
Molecular Weight868.09 g/mol
Exact Mass867.35
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccccc4-c4cccc5c4oc4ccccc45)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21
InChIInChI=1S/C66H45NO/c1-66(47-24-6-3-7-25-47)58-35-12-8-29-57(58)64-50(31-19-36-59(64)66)45-40-42-48(43-41-45)67(61-38-14-10-27-52(61)55-33-18-34-56-53-28-11-15-39-62(53)68-65(55)56)60-37-13-9-26-51(60)54-32-17-23-46-22-16-30-49(63(46)54)44-20-4-2-5-21-44/h2-43H,1H3
InChIKeyOQHVJJPVRCRYKU-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.09
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118188576
2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170302469
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 170300460
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine
CID 170676804
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170291648
9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303937
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline;2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 157436588
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-(3-dibenzofuran-4-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170302589

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170302579) is N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccccc4-c4cccc5c4oc4ccccc45)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is OQHVJJPVRCRYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NO/c1-66(47-24-6-3-7-25-47)58-35-12-8-29-57(58)64-50(31-19-36-59(64)66)45-40-42-48(43-41-45)67(61-38-14-10-27-52(61)55-33-18-34-56-53-28-11-15-39-62(53)68-65(55)56)60-37-13-9-26-51(60)54-32-17-23-46-22-16-30-49(63(46)54)44-20-4-2-5-21-44/h2-43H,1H3.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 868.09 g/mol, XLogP of 18.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170302579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).