N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine

C52H39NO — CID 170036685

IUPACN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cc5oc6ccccc6c5c5ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C52H39NO/c1-51(2)40-20-10-7-17-36(40)49-42(51)22-13-24-44(49)53(45-25-14-23-43-50(45)37-18-8-11-21-41(37)52(43,3)4)33-29-27-32(28-30-33)39-31-47-48(35-16-6-5-15-34(35)39)38-19-9-12-26-46(38)54-47/h5-31H,1-4H3
InChIKeyULBJRQYQMSHJRA-UHFFFAOYSA-N
MW693.89 g/mol
LogP14.49
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine (PubChem CID 170036685) has the molecular formula C52H39NO and a molecular weight of 693.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
PubChem CID170036685
Molecular FormulaC52H39NO
Molecular Weight693.89 g/mol
Exact Mass693.30
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cc5oc6ccccc6c5c5ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C52H39NO/c1-51(2)40-20-10-7-17-36(40)49-42(51)22-13-24-44(49)53(45-25-14-23-43-50(45)37-18-8-11-21-41(37)52(43,3)4)33-29-27-32(28-30-33)39-31-47-48(35-16-6-5-15-34(35)39)38-19-9-12-26-46(38)54-47/h5-31H,1-4H3
InChIKeyULBJRQYQMSHJRA-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
CID 135271088
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568033
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301615
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 176583226
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine (CID 170036685) is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cc5oc6ccccc6c5c5ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine?
The InChIKey is ULBJRQYQMSHJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NO/c1-51(2)40-20-10-7-17-36(40)49-42(51)22-13-24-44(49)53(45-25-14-23-43-50(45)37-18-8-11-21-41(37)52(43,3)4)33-29-27-32(28-30-33)39-31-47-48(35-16-6-5-15-34(35)39)38-19-9-12-26-46(38)54-47/h5-31H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine?
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine has a molecular weight of 693.89 g/mol, XLogP of 14.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 170036685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).