N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine

C41H31NO — CID 169022367

IUPACN-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)oc3c(C5(C)c6ccccc6-c6ccccc65)cccc34)cc21
InChIInChI=1S/C41H31NO/c1-40(2)33-15-7-4-11-27(33)30-21-19-25(23-37(30)40)42-26-20-22-31-32-14-10-18-36(39(32)43-38(31)24-26)41(3)34-16-8-5-12-28(34)29-13-6-9-17-35(29)41/h4-24,42H,1-3H3
InChIKeyDCNYTLGGJJMPDY-UHFFFAOYSA-N
MW553.71 g/mol
LogP10.97
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine (PubChem CID 169022367) has the molecular formula C41H31NO and a molecular weight of 553.71 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
PubChem CID169022367
Molecular FormulaC41H31NO
Molecular Weight553.71 g/mol
Exact Mass553.24
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)oc3c(C5(C)c6ccccc6-c6ccccc65)cccc34)cc21
InChIInChI=1S/C41H31NO/c1-40(2)33-15-7-4-11-27(33)30-21-19-25(23-37(30)40)42-26-20-22-31-32-14-10-18-36(39(32)43-38(31)24-26)41(3)34-16-8-5-12-28(34)29-13-6-9-17-35(29)41/h4-24,42H,1-3H3
InChIKeyDCNYTLGGJJMPDY-UHFFFAOYSA-N
XLogP10.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 510.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022283
N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 166647190
N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine
CID 144856795
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022062
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
CID 169022361
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 129199649
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167253385
9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine
CID 169022480

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine (CID 169022367) is N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)oc3c(C5(C)c6ccccc6-c6ccccc65)cccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
The InChIKey is DCNYTLGGJJMPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31NO/c1-40(2)33-15-7-4-11-27(33)30-21-19-25(23-37(30)40)42-26-20-22-31-32-14-10-18-36(39(32)43-38(31)24-26)41(3)34-16-8-5-12-28(34)29-13-6-9-17-35(29)41/h4-24,42H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine has a molecular weight of 553.71 g/mol, XLogP of 10.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine is sourced from PubChem (CID 169022367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).