N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine

C61H45NO — CID 169022061

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21
InChIInChI=1S/C61H45NO/c1-59(2)49-26-12-8-20-41(49)45-34-32-39(36-54(45)59)62(40-33-35-46-42-21-9-13-27-50(42)60(3,4)55(46)37-40)56-31-17-25-48-47-24-16-30-53(57(47)63-58(48)56)61(38-18-6-5-7-19-38)51-28-14-10-22-43(51)44-23-11-15-29-52(44)61/h5-37H,1-4H3
InChIKeyICFYCBBDRXJURB-UHFFFAOYSA-N
MW808.04 g/mol
LogP16.03
Rot. Bonds5

About N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine (PubChem CID 169022061) 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)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
PubChem CID169022061
Molecular FormulaC61H45NO
Molecular Weight808.04 g/mol
Exact Mass807.35
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21
InChIInChI=1S/C61H45NO/c1-59(2)49-26-12-8-20-41(49)45-34-32-39(36-54(45)59)62(40-33-35-46-42-21-9-13-27-50(42)60(3,4)55(46)37-40)56-31-17-25-48-47-24-16-30-53(57(47)63-58(48)56)61(38-18-6-5-7-19-38)51-28-14-10-22-43(51)44-23-11-15-29-52(44)61/h5-37H,1-4H3
InChIKeyICFYCBBDRXJURB-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-diphenylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 169021988
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730540
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 149287713
N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022042
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-8-amine
CID 171050362
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)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
CID 121391816
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine (CID 169022061) is N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine?
The InChIKey is ICFYCBBDRXJURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45NO/c1-59(2)49-26-12-8-20-41(49)45-34-32-39(36-54(45)59)62(40-33-35-46-42-21-9-13-27-50(42)60(3,4)55(46)37-40)56-31-17-25-48-47-24-16-30-53(57(47)63-58(48)56)61(38-18-6-5-7-19-38)51-28-14-10-22-43(51)44-23-11-15-29-52(44)61/h5-37H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-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)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine is sourced from PubChem (CID 169022061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).