N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine

C60H43NO — CID 169295596

IUPACN,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)cccc34)cc21
InChIInChI=1S/C60H43NO/c1-59(2)50-25-13-11-21-43(50)45-30-28-38(33-52(45)59)56-41-19-8-6-16-36(41)32-49-48-24-15-27-54(57(48)62-58(49)56)61(55-34-37-17-5-7-18-40(37)42-20-9-10-23-47(42)55)39-29-31-46-44-22-12-14-26-51(44)60(3,4)53(46)35-39/h5-35H,1-4H3
InChIKeyMGYGHUKGXOLJHL-UHFFFAOYSA-N
MW794.01 g/mol
LogP16.80
Rot. Bonds4

About N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine

N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 169295596) has the molecular formula C60H43NO and a molecular weight of 794.01 g/mol. Its IUPAC name is N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine
PubChem CID169295596
Molecular FormulaC60H43NO
Molecular Weight794.01 g/mol
Exact Mass793.33
IUPAC NameN,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)cccc34)cc21
InChIInChI=1S/C60H43NO/c1-59(2)50-25-13-11-21-43(50)45-30-28-38(33-52(45)59)56-41-19-8-6-16-36(41)32-49-48-24-15-27-54(57(48)62-58(49)56)61(55-34-37-17-5-7-18-40(37)42-20-9-10-23-47(42)55)39-29-31-46-44-22-12-14-26-51(44)60(3,4)53(46)35-39/h5-35H,1-4H3
InChIKeyMGYGHUKGXOLJHL-UHFFFAOYSA-N
XLogP16.80
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.01
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295150
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
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-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
N-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295713
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295604
N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295434
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295781
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 166028581
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312

Frequently Asked Questions

What is the IUPAC name of N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine (CID 169295596) is N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)cccc34)cc21.
What is the InChIKey of N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is MGYGHUKGXOLJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NO/c1-59(2)50-25-13-11-21-43(50)45-30-28-38(33-52(45)59)56-41-19-8-6-16-36(41)32-49-48-24-15-27-54(57(48)62-58(49)56)61(55-34-37-17-5-7-18-40(37)42-20-9-10-23-47(42)55)39-29-31-46-44-22-12-14-26-51(44)60(3,4)53(46)35-39/h5-35H,1-4H3.
What are the key properties of N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine?
N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 794.01 g/mol, XLogP of 16.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 169295596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).