N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine

C58H41NO — CID 171453270

IUPACN-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C58H41NO/c1-57(39-18-5-3-6-19-39)52-29-13-10-24-46(52)50-36-42(32-34-53(50)57)59(41-22-15-17-38(35-41)44-26-16-27-49-48-25-11-14-30-55(48)60-56(44)49)43-31-33-47-45-23-9-12-28-51(45)58(2,54(47)37-43)40-20-7-4-8-21-40/h3-37H,1-2H3
InChIKeyQHKLJIHBPDFIJG-UHFFFAOYSA-N
MW767.97 g/mol
LogP15.39
Rot. Bonds6

About N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine

N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine (PubChem CID 171453270) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine
PubChem CID171453270
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C58H41NO/c1-57(39-18-5-3-6-19-39)52-29-13-10-24-46(52)50-36-42(32-34-53(50)57)59(41-22-15-17-38(35-41)44-26-16-27-49-48-25-11-14-30-55(48)60-56(44)49)43-31-33-47-45-23-9-12-28-51(45)58(2,54(47)37-43)40-20-7-4-8-21-40/h3-37H,1-2H3
InChIKeyQHKLJIHBPDFIJG-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine
CID 171453554
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839605
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158851525
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
5-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-diphenylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 122552040
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161143878

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine (CID 171453270) is N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)ccc21.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine?
The InChIKey is QHKLJIHBPDFIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-57(39-18-5-3-6-19-39)52-29-13-10-24-46(52)50-36-42(32-34-53(50)57)59(41-22-15-17-38(35-41)44-26-16-27-49-48-25-11-14-30-55(48)60-56(44)49)43-31-33-47-45-23-9-12-28-51(45)58(2,54(47)37-43)40-20-7-4-8-21-40/h3-37H,1-2H3.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine?
N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine has a molecular weight of 767.97 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 171453270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).