N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine

C61H45NO — CID 169022042

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c4oc5ccccc5c4c3)cc21
InChIInChI=1S/C61H45NO/c1-59(2)50-25-13-8-20-42(50)46-32-30-39(35-54(46)59)62(40-31-33-47-43-21-9-14-26-51(43)60(3,4)55(47)36-40)41-34-49-48-24-12-17-29-57(48)63-58(49)56(37-41)61(38-18-6-5-7-19-38)52-27-15-10-22-44(52)45-23-11-16-28-53(45)61/h5-37H,1-4H3
InChIKeyCORNCFFTGCVRMK-UHFFFAOYSA-N
MW808.04 g/mol
LogP16.03
Rot. Bonds5

About N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine (PubChem CID 169022042) has the molecular formula C61H45NO and a molecular weight of 808.04 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
PubChem CID169022042
Molecular FormulaC61H45NO
Molecular Weight808.04 g/mol
Exact Mass807.35
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c4oc5ccccc5c4c3)cc21
InChIInChI=1S/C61H45NO/c1-59(2)50-25-13-8-20-42(50)46-32-30-39(35-54(46)59)62(40-31-33-47-43-21-9-14-26-51(43)60(3,4)55(47)36-40)41-34-49-48-24-12-17-29-57(48)63-58(49)56(37-41)61(38-18-6-5-7-19-38)52-27-15-10-22-44(52)45-23-11-16-28-53(45)61/h5-37H,1-4H3
InChIKeyCORNCFFTGCVRMK-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.04
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 169022228
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022287
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
CID 169022127
N-(9,9-dimethylfluoren-2-yl)-4-[9-(3-ethenylphenyl)fluoren-9-yl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-2-amine
CID 166647090
N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
CID 140919912
N-(9,9-dimethylfluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;4-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160821142
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022235
4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022495
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839605

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine (CID 169022042) is N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c4oc5ccccc5c4c3)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine?
The InChIKey is CORNCFFTGCVRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45NO/c1-59(2)50-25-13-8-20-42(50)46-32-30-39(35-54(46)59)62(40-31-33-47-43-21-9-14-26-51(43)60(3,4)55(47)36-40)41-34-49-48-24-12-17-29-57(48)63-58(49)56(37-41)61(38-18-6-5-7-19-38)52-27-15-10-22-44(52)45-23-11-16-28-53(45)61/h5-37H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine has a molecular weight of 808.04 g/mol, XLogP of 16.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine is sourced from PubChem (CID 169022042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).