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

C51H39NO — CID 177080186

IUPAC9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4ccc4c6ccccc6oc54)cc3)cc21
InChIInChI=1S/C51H39NO/c1-3-51(4-2)47-19-10-8-15-42(47)43-30-29-39(33-48(43)51)52(37-25-21-35(22-26-37)34-13-6-5-7-14-34)38-27-23-36(24-28-38)40-17-12-18-45-41(40)31-32-46-44-16-9-11-20-49(44)53-50(45)46/h5-33H,3-4H2,1-2H3
InChIKeyCWTZNUCOMVKSBR-UHFFFAOYSA-N
MW681.88 g/mol
LogP14.63
Rot. Bonds7

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

9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 177080186) has the molecular formula C51H39NO and a molecular weight of 681.88 g/mol. Its IUPAC name is 9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID177080186
Molecular FormulaC51H39NO
Molecular Weight681.88 g/mol
Exact Mass681.30
IUPAC Name9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4ccc4c6ccccc6oc54)cc3)cc21
InChIInChI=1S/C51H39NO/c1-3-51(4-2)47-19-10-8-15-42(47)43-30-29-39(33-48(43)51)52(37-25-21-35(22-26-37)34-13-6-5-7-14-34)38-27-23-36(24-28-38)40-17-12-18-45-41(40)31-32-46-44-16-9-11-20-49(44)53-50(45)46/h5-33H,3-4H2,1-2H3
InChIKeyCWTZNUCOMVKSBR-UHFFFAOYSA-N
XLogP14.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.88
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-diethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)fluoren-2-amine
CID 177080206
N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 177080188
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161386927
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 67964256
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-17-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
CID 176598464

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine (CID 177080186) is 9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine is CCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4ccc4c6ccccc6oc54)cc3)cc21.
What is the InChIKey of 9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is CWTZNUCOMVKSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39NO/c1-3-51(4-2)47-19-10-8-15-42(47)43-30-29-39(33-48(43)51)52(37-25-21-35(22-26-37)34-13-6-5-7-14-34)38-27-23-36(24-28-38)40-17-12-18-45-41(40)31-32-46-44-16-9-11-20-49(44)53-50(45)46/h5-33H,3-4H2,1-2H3.
What are the key properties of 9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
9,9-diethyl-N-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 681.88 g/mol, XLogP of 14.63, 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-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177080186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).