11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine

C50H36N2O2 — CID 171755092

IUPAC11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESC=Cc1nc(-c2c3ccccc3cc3oc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c23)oc1C=C
InChIInChI=1S/C50H36N2O2/c1-5-43-44(6-2)54-49(51-43)48-37-17-11-10-16-33(37)28-46-47(48)40-29-35(25-27-45(40)53-46)52(34-22-20-32(21-23-34)31-14-8-7-9-15-31)36-24-26-39-38-18-12-13-19-41(38)50(3,4)42(39)30-36/h5-30H,1-2H2,3-4H3
InChIKeyHOCZDIXBPFYPNH-UHFFFAOYSA-N
MW696.85 g/mol
LogP14.12
Rot. Bonds7

About 11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine

11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 171755092) has the molecular formula C50H36N2O2 and a molecular weight of 696.85 g/mol. Its IUPAC name is 11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound Name11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
PubChem CID171755092
Molecular FormulaC50H36N2O2
Molecular Weight696.85 g/mol
Exact Mass696.28
IUPAC Name11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESC=Cc1nc(-c2c3ccccc3cc3oc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c23)oc1C=C
InChIInChI=1S/C50H36N2O2/c1-5-43-44(6-2)54-49(51-43)48-37-17-11-10-16-33(37)28-46-47(48)40-29-35(25-27-45(40)53-46)52(34-22-20-32(21-23-34)31-14-8-7-9-15-31)36-24-26-39-38-18-12-13-19-41(38)50(3,4)42(39)30-36/h5-30H,1-2H2,3-4H3
InChIKeyHOCZDIXBPFYPNH-UHFFFAOYSA-N
XLogP14.12
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
11-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,3-b][1]benzofuran-2-amine
CID 171754506
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050022
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 171401843
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295304
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170722783
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994

Frequently Asked Questions

What is the IUPAC name of 11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of 11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (CID 171755092) is 11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for 11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for 11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is C=Cc1nc(-c2c3ccccc3cc3oc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c23)oc1C=C.
What is the InChIKey of 11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is HOCZDIXBPFYPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2O2/c1-5-43-44(6-2)54-49(51-43)48-37-17-11-10-16-33(37)28-46-47(48)40-29-35(25-27-45(40)53-46)52(34-22-20-32(21-23-34)31-14-8-7-9-15-31)36-24-26-39-38-18-12-13-19-41(38)50(3,4)42(39)30-36/h5-30H,1-2H2,3-4H3.
What are the key properties of 11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine has a molecular weight of 696.85 g/mol, XLogP of 14.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4,5-bis(ethenyl)-1,3-oxazol-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 171755092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).