N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine

C64H45NO — CID 167285348

IUPACN-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3c(-c4ccccc4)cccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)cccc21
InChIInChI=1S/C64H45NO/c1-63(2)54-31-15-13-28-52(54)61-53(30-18-33-56(61)63)62-47(42-20-6-3-7-21-42)29-19-34-58(62)65(46-37-39-51-50-27-14-17-35-59(50)66-60(51)41-46)45-36-38-49-48-26-12-16-32-55(48)64(57(49)40-45,43-22-8-4-9-23-43)44-24-10-5-11-25-44/h3-41H,1-2H3
InChIKeyQTEWFHXTJLYNDC-UHFFFAOYSA-N
MW844.07 g/mol
LogP17.06
Rot. Bonds7

About N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine

N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine (PubChem CID 167285348) has the molecular formula C64H45NO and a molecular weight of 844.07 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine
PubChem CID167285348
Molecular FormulaC64H45NO
Molecular Weight844.07 g/mol
Exact Mass843.35
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3c(-c4ccccc4)cccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)cccc21
InChIInChI=1S/C64H45NO/c1-63(2)54-31-15-13-28-52(54)61-53(30-18-33-56(61)63)62-47(42-20-6-3-7-21-42)29-19-34-58(62)65(46-37-39-51-50-27-14-17-35-59(50)66-60(51)41-46)45-36-38-49-48-26-12-16-32-55(48)64(57(49)40-45,43-22-8-4-9-23-43)44-24-10-5-11-25-44/h3-41H,1-2H3
InChIKeyQTEWFHXTJLYNDC-UHFFFAOYSA-N
XLogP17.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.07
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine
CID 169039724
N-[3-phenyl-2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 168788654
N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-4-yl]dibenzofuran-3-amine
CID 163671678
N-(9,9-diphenylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790790
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-18-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050055
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
CID 155312876
3-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-4-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 155096767
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168788681
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453273
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293276

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine (CID 167285348) is N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2c(-c3c(-c4ccccc4)cccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)cccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine?
The InChIKey is QTEWFHXTJLYNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45NO/c1-63(2)54-31-15-13-28-52(54)61-53(30-18-33-56(61)63)62-47(42-20-6-3-7-21-42)29-19-34-58(62)65(46-37-39-51-50-27-14-17-35-59(50)66-60(51)41-46)45-36-38-49-48-26-12-16-32-55(48)64(57(49)40-45,43-22-8-4-9-23-43)44-24-10-5-11-25-44/h3-41H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine?
N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine has a molecular weight of 844.07 g/mol, XLogP of 17.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 167285348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).