9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine

C55H41NO — CID 177080206

IUPAC9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4ccc4c6ccccc6oc54)cc3)cc21
InChIInChI=1S/C55H41NO/c1-3-55(4-2)51-18-9-7-14-46(51)47-31-30-43(35-52(47)55)56(41-26-22-37(23-27-41)40-21-20-36-12-5-6-13-39(36)34-40)42-28-24-38(25-29-42)44-16-11-17-49-45(44)32-33-50-48-15-8-10-19-53(48)57-54(49)50/h5-35H,3-4H2,1-2H3
InChIKeyOZEJECXPEJUYHH-UHFFFAOYSA-N
MW731.94 g/mol
LogP15.78
Rot. Bonds7

About 9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine

9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine (PubChem CID 177080206) has the molecular formula C55H41NO and a molecular weight of 731.94 g/mol. Its IUPAC name is 9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine
PubChem CID177080206
Molecular FormulaC55H41NO
Molecular Weight731.94 g/mol
Exact Mass731.32
IUPAC Name9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4ccc4c6ccccc6oc54)cc3)cc21
InChIInChI=1S/C55H41NO/c1-3-55(4-2)51-18-9-7-14-46(51)47-31-30-43(35-52(47)55)56(41-26-22-37(23-27-41)40-21-20-36-12-5-6-13-39(36)34-40)42-28-24-38(25-29-42)44-16-11-17-49-45(44)32-33-50-48-15-8-10-19-53(48)57-54(49)50/h5-35H,3-4H2,1-2H3
InChIKeyOZEJECXPEJUYHH-UHFFFAOYSA-N
XLogP15.78
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.94
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 177080186
N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 177080188
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine
CID 146437090
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 159257913
(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 145242811
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161150282
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167330204
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
CID 155119902
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 67964256
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine (CID 177080206) is 9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine is CCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4ccc4c6ccccc6oc54)cc3)cc21.
What is the InChIKey of 9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine?
The InChIKey is OZEJECXPEJUYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41NO/c1-3-55(4-2)51-18-9-7-14-46(51)47-31-30-43(35-52(47)55)56(41-26-22-37(23-27-41)40-21-20-36-12-5-6-13-39(36)34-40)42-28-24-38(25-29-42)44-16-11-17-49-45(44)32-33-50-48-15-8-10-19-53(48)57-54(49)50/h5-35H,3-4H2,1-2H3.
What are the key properties of 9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine?
9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine has a molecular weight of 731.94 g/mol, XLogP of 15.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 177080206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).