N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine

C43H29NOSe — CID 171445644

IUPACN-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc4c(c3)[se]c3c5ccccc5ccc43)c3ccc4oc5ccccc5c4c3)c21
InChIInChI=1S/C43H29NOSe/c1-43(2)36-15-7-5-12-30(36)33-14-9-16-37(41(33)43)44(27-20-23-39-35(24-27)31-13-6-8-17-38(31)45-39)28-19-22-32-34-21-18-26-10-3-4-11-29(26)42(34)46-40(32)25-28/h3-25H,1-2H3
InChIKeyQOMOHIHFKLITRV-UHFFFAOYSA-N
MW654.67 g/mol
LogP11.88
Rot. Bonds3

About N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine

N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine (PubChem CID 171445644) has the molecular formula C43H29NOSe and a molecular weight of 654.67 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine
PubChem CID171445644
Molecular FormulaC43H29NOSe
Molecular Weight654.67 g/mol
Exact Mass655.14
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc4c(c3)[se]c3c5ccccc5ccc43)c3ccc4oc5ccccc5c4c3)c21
InChIInChI=1S/C43H29NOSe/c1-43(2)36-15-7-5-12-30(36)33-14-9-16-37(41(33)43)44(27-20-23-39-35(24-27)31-13-6-8-17-38(31)45-39)28-19-22-32-34-21-18-26-10-3-4-11-29(26)42(34)46-40(32)25-28/h3-25H,1-2H3
InChIKeyQOMOHIHFKLITRV-UHFFFAOYSA-N
XLogP11.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.67
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 167323880
8-N,22-N-bis(9,9-dimethylfluoren-1-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165066594
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;methane
CID 160895510
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(2-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167325077
N-chrysen-4-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 170140218
N-chrysen-5-yl-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-2-amine
CID 170140041
N-(11,11-dimethylbenzo[a]fluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 148507148
N-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095178
N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 171445500
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine (CID 171445644) is N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc4c(c3)[se]c3c5ccccc5ccc43)c3ccc4oc5ccccc5c4c3)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine?
The InChIKey is QOMOHIHFKLITRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NOSe/c1-43(2)36-15-7-5-12-30(36)33-14-9-16-37(41(33)43)44(27-20-23-39-35(24-27)31-13-6-8-17-38(31)45-39)28-19-22-32-34-21-18-26-10-3-4-11-29(26)42(34)46-40(32)25-28/h3-25H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine?
N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine has a molecular weight of 654.67 g/mol, XLogP of 11.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine is sourced from PubChem (CID 171445644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).