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

C63H43NO — CID 171453273

IUPACN-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C63H43NO/c1-62(44-20-5-2-6-21-44)54-30-14-11-27-49(54)50-38-36-48(41-57(50)62)64(47-26-17-19-42(39-47)43-35-37-52-51-28-13-16-34-59(51)65-60(52)40-43)58-33-18-32-56-61(58)53-29-12-15-31-55(53)63(56,45-22-7-3-8-23-45)46-24-9-4-10-25-46/h2-41H,1H3
InChIKeyGBOKAIWTBWKQAM-UHFFFAOYSA-N
MW830.04 g/mol
LogP16.42
Rot. Bonds7

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

N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine (PubChem CID 171453273) has the molecular formula C63H43NO and a molecular weight of 830.04 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
PubChem CID171453273
Molecular FormulaC63H43NO
Molecular Weight830.04 g/mol
Exact Mass829.33
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C63H43NO/c1-62(44-20-5-2-6-21-44)54-30-14-11-27-49(54)50-38-36-48(41-57(50)62)64(47-26-17-19-42(39-47)43-35-37-52-51-28-13-16-34-59(51)65-60(52)40-43)58-33-18-32-56-61(58)53-29-12-15-31-55(53)63(56,45-22-7-3-8-23-45)46-24-9-4-10-25-46/h2-41H,1H3
InChIKeyGBOKAIWTBWKQAM-UHFFFAOYSA-N
XLogP16.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.04
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]dibenzofuran-2-amine
CID 171453603
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170139028
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine
CID 171453579
N-(4-dibenzofuran-2-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193270
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
CID 171453577
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
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-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 163834349
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193296
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine
CID 167285348

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine (CID 171453273) is N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine?
The InChIKey is GBOKAIWTBWKQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO/c1-62(44-20-5-2-6-21-44)54-30-14-11-27-49(54)50-38-36-48(41-57(50)62)64(47-26-17-19-42(39-47)43-35-37-52-51-28-13-16-34-59(51)65-60(52)40-43)58-33-18-32-56-61(58)53-29-12-15-31-55(53)63(56,45-22-7-3-8-23-45)46-24-9-4-10-25-46/h2-41H,1H3.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine?
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine has a molecular weight of 830.04 g/mol, XLogP of 16.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine is sourced from PubChem (CID 171453273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).