N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine

C46H35NO — CID 142515804

IUPACN-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3cccc4c3oc3c5c(ccc34)C(C)(C)c3ccccc3-5)cccc21
InChIInChI=1S/C46H35NO/c1-45(2)35-18-9-7-15-33(35)41-37(45)20-12-21-39(41)47(30-24-23-28-13-5-6-14-29(28)27-30)40-22-11-17-31-32-25-26-38-42(44(32)48-43(31)40)34-16-8-10-19-36(34)46(38,3)4/h5-27H,1-4H3
InChIKeyVRWJSNFRVLNFDV-UHFFFAOYSA-N
MW617.79 g/mol
LogP12.82
Rot. Bonds3

About N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine

N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine (PubChem CID 142515804) has the molecular formula C46H35NO and a molecular weight of 617.79 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine
PubChem CID142515804
Molecular FormulaC46H35NO
Molecular Weight617.79 g/mol
Exact Mass617.27
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3cccc4c3oc3c5c(ccc34)C(C)(C)c3ccccc3-5)cccc21
InChIInChI=1S/C46H35NO/c1-45(2)35-18-9-7-15-33(35)41-37(45)20-12-21-39(41)47(30-24-23-28-13-5-6-14-29(28)27-30)40-22-11-17-31-32-25-26-38-42(44(32)48-43(31)40)34-16-8-10-19-36(34)46(38,3)4/h5-27H,1-4H3
InChIKeyVRWJSNFRVLNFDV-UHFFFAOYSA-N
XLogP12.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.79
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine
CID 118405099
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine
CID 164929456
N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
CID 177122168
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 166028581
N-(9,9-dimethylfluoren-4-yl)-N-(3-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183259
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N-chrysen-6-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-3-amine
CID 170139265
N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 135271123
N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine
CID 159006380
N-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295713

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine (CID 142515804) is N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3cccc4c3oc3c5c(ccc34)C(C)(C)c3ccccc3-5)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine?
The InChIKey is VRWJSNFRVLNFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NO/c1-45(2)35-18-9-7-15-33(35)41-37(45)20-12-21-39(41)47(30-24-23-28-13-5-6-14-29(28)27-30)40-22-11-17-31-32-25-26-38-42(44(32)48-43(31)40)34-16-8-10-19-36(34)46(38,3)4/h5-27H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine?
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine has a molecular weight of 617.79 g/mol, XLogP of 12.82, 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-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 142515804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).