N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C51H35NO — CID 166028544

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4c3oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C51H35NO/c1-51(2)45-20-10-9-18-41(45)42-28-27-36(31-46(42)51)52(47-21-11-19-43-49-38-15-6-3-12-32(38)24-29-48(49)53-50(43)47)35-25-22-33(23-26-35)44-30-34-13-4-5-14-37(34)39-16-7-8-17-40(39)44/h3-31H,1-2H3
InChIKeyRFZUXNHUCFWGFJ-UHFFFAOYSA-N
MW677.85 g/mol
LogP14.49
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 166028544) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID166028544
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4c3oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C51H35NO/c1-51(2)45-20-10-9-18-41(45)42-28-27-36(31-46(42)51)52(47-21-11-19-43-49-38-15-6-3-12-32(38)24-29-48(49)53-50(43)47)35-25-22-33(23-26-35)44-30-34-13-4-5-14-37(34)39-16-7-8-17-40(39)44/h3-31H,1-2H3
InChIKeyRFZUXNHUCFWGFJ-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808372
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028626
N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 166028540
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
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-phenylphenyl]fluoren-2-amine
CID 139551318
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320632
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028594
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-8-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-8-amine;6-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 158358016
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 166028544) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4c3oc3ccc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is RFZUXNHUCFWGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-51(2)45-20-10-9-18-41(45)42-28-27-36(31-46(42)51)52(47-21-11-19-43-49-38-15-6-3-12-32(38)24-29-48(49)53-50(43)47)35-25-22-33(23-26-35)44-30-34-13-4-5-14-37(34)39-16-7-8-17-40(39)44/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 677.85 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-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 166028544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).