N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine

C61H41NO — CID 170119694

IUPACN-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C61H41NO/c1-4-22-42(23-5-1)45-28-10-11-29-46(45)47-30-12-13-31-48(47)49-32-15-18-37-54(49)62(56-39-21-41-58-60(56)51-34-16-19-40-57(51)63-58)55-38-20-36-53-59(55)50-33-14-17-35-52(50)61(53,43-24-6-2-7-25-43)44-26-8-3-9-27-44/h1-41H
InChIKeyODSHGMMCPYVDQO-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.42
Rot. Bonds8

About N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine

N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 170119694) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
PubChem CID170119694
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C61H41NO/c1-4-22-42(23-5-1)45-28-10-11-29-46(45)47-30-12-13-31-48(47)49-32-15-18-37-54(49)62(56-39-21-41-58-60(56)51-34-16-19-40-57(51)63-58)55-38-20-36-53-59(55)50-33-14-17-35-52(50)61(53,43-24-6-2-7-25-43)44-26-8-3-9-27-44/h1-41H
InChIKeyODSHGMMCPYVDQO-UHFFFAOYSA-N
XLogP16.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119695
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176583162
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 121391790
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
CID 155096765
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine
CID 170302160
N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229419
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312684
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 172544755
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine
CID 177063669
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 160590087
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 152916526

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine (CID 170119694) is N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is ODSHGMMCPYVDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-4-22-42(23-5-1)45-28-10-11-29-46(45)47-30-12-13-31-48(47)49-32-15-18-37-54(49)62(56-39-21-41-58-60(56)51-34-16-19-40-57(51)63-58)55-38-20-36-53-59(55)50-33-14-17-35-52(50)61(53,43-24-6-2-7-25-43)44-26-8-3-9-27-44/h1-41H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 804.01 g/mol, XLogP of 16.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 170119694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).