9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine

C53H35NO2 — CID 170675659

IUPAC9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(cc3-c3cccc5c3oc3ccccc35)oc3c5ccccc5ccc43)cc21
InChIInChI=1S/C53H35NO2/c1-53(2)46-20-9-7-16-38(46)39-27-25-36(29-47(39)53)54(35-24-22-32-12-3-4-14-34(32)28-35)48-30-45-43-26-23-33-13-5-6-15-37(33)51(43)56-50(45)31-44(48)42-19-11-18-41-40-17-8-10-21-49(40)55-52(41)42/h3-31H,1-2H3
InChIKeyPKQXHIOMRULWTC-UHFFFAOYSA-N
MW717.87 g/mol
LogP15.23
Rot. Bonds4

About 9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine

9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 170675659) has the molecular formula C53H35NO2 and a molecular weight of 717.87 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
PubChem CID170675659
Molecular FormulaC53H35NO2
Molecular Weight717.87 g/mol
Exact Mass717.27
IUPAC Name9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(cc3-c3cccc5c3oc3ccccc35)oc3c5ccccc5ccc43)cc21
InChIInChI=1S/C53H35NO2/c1-53(2)46-20-9-7-16-38(46)39-27-25-36(29-47(39)53)54(35-24-22-32-12-3-4-14-34(32)28-35)48-30-45-43-26-23-33-13-5-6-15-37(33)51(43)56-50(45)31-44(48)42-19-11-18-41-40-17-8-10-21-49(40)55-52(41)42/h3-31H,1-2H3
InChIKeyPKQXHIOMRULWTC-UHFFFAOYSA-N
XLogP15.23
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.87
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[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

N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170674936
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984
N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine
CID 159006380
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779391
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170674918
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 169285279
N-[7-[3-[10-[dibenzofuran-3-yl-(9,9-dimethylfluoren-2-yl)amino]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 174180372
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468
7-dibenzofuran-2-yl-9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 121327924

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of 9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine (CID 170675659) is 9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for 9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for 9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(cc3-c3cccc5c3oc3ccccc35)oc3c5ccccc5ccc43)cc21.
What is the InChIKey of 9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is PKQXHIOMRULWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO2/c1-53(2)46-20-9-7-16-38(46)39-27-25-36(29-47(39)53)54(35-24-22-32-12-3-4-14-34(32)28-35)48-30-45-43-26-23-33-13-5-6-15-37(33)51(43)56-50(45)31-44(48)42-19-11-18-41-40-17-8-10-21-49(40)55-52(41)42/h3-31H,1-2H3.
What are the key properties of 9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine?
9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 717.87 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 170675659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).