N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine

C52H39NO — CID 166028581

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(C)C)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc21
InChIInChI=1S/C52H39NO/c1-51(2)42-24-13-11-21-38(42)48-43(51)25-15-26-45(48)53(34-28-29-37-36-20-10-12-23-41(36)52(3,4)44(37)31-34)46-27-14-22-39-47-35-19-9-8-18-33(35)30-40(50(47)54-49(39)46)32-16-6-5-7-17-32/h5-31H,1-4H3
InChIKeyAFFSCZGKGFCWDE-UHFFFAOYSA-N
MW693.89 g/mol
LogP14.49
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 166028581) has the molecular formula C52H39NO and a molecular weight of 693.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
PubChem CID166028581
Molecular FormulaC52H39NO
Molecular Weight693.89 g/mol
Exact Mass693.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(C)C)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc21
InChIInChI=1S/C52H39NO/c1-51(2)42-24-13-11-21-38(42)48-43(51)25-15-26-45(48)53(34-28-29-37-36-20-10-12-23-41(36)52(3,4)44(37)31-34)46-27-14-22-39-47-35-19-9-8-18-33(35)30-40(50(47)54-49(39)46)32-16-6-5-7-17-32/h5-31H,1-4H3
InChIKeyAFFSCZGKGFCWDE-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-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028594
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440
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
1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine
CID 160771142
N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844263
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320773
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320632
6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169296176
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808372
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295150
12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 126550533

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine (CID 166028581) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(C)C)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is AFFSCZGKGFCWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NO/c1-51(2)42-24-13-11-21-38(42)48-43(51)25-15-26-45(48)53(34-28-29-37-36-20-10-12-23-41(36)52(3,4)44(37)31-34)46-27-14-22-39-47-35-19-9-8-18-33(35)30-40(50(47)54-49(39)46)32-16-6-5-7-17-32/h5-31H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-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-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 166028581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).