12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine

C53H37NO — CID 146647827

IUPAC12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc3c(oc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc43)c21
InChIInChI=1S/C53H37NO/c1-53(2)49-14-8-7-13-45(49)46-28-29-47-48-33-44(27-30-50(48)55-52(47)51(46)53)54(42-23-19-36(20-24-42)40-17-15-34-9-3-5-11-38(34)31-40)43-25-21-37(22-26-43)41-18-16-35-10-4-6-12-39(35)32-41/h3-33H,1-2H3
InChIKeyYJCOSNIWKQXADE-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About 12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine

12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine (PubChem CID 146647827) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is 12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine
PubChem CID146647827
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC Name12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc3c(oc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc43)c21
InChIInChI=1S/C53H37NO/c1-53(2)49-14-8-7-13-45(49)46-28-29-47-48-33-44(27-30-50(48)55-52(47)51(46)53)54(42-23-19-36(20-24-42)40-17-15-34-9-3-5-11-38(34)31-40)43-25-21-37(22-26-43)41-18-16-35-10-4-6-12-39(35)32-41/h3-33H,1-2H3
InChIKeyYJCOSNIWKQXADE-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-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

12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine
CID 146437090
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine
CID 163434632
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-10-amine
CID 160770328
N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
CID 164764699
9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
CID 167143361
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323768
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 157172121
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine
CID 170035949
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-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 167323880
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170272231

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine?
The IUPAC name of 12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine (CID 146647827) is 12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for 12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for 12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc3c(oc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc43)c21.
What is the InChIKey of 12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine?
The InChIKey is YJCOSNIWKQXADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)49-14-8-7-13-45(49)46-28-29-47-48-33-44(27-30-50(48)55-52(47)51(46)53)54(42-23-19-36(20-24-42)40-17-15-34-9-3-5-11-38(34)31-40)43-25-21-37(22-26-43)41-18-16-35-10-4-6-12-39(35)32-41/h3-33H,1-2H3.
What are the key properties of 12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine?
12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine has a molecular weight of 703.89 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 146647827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).