N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine

C55H44N2O — CID 170141524

IUPACN-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccccc3Nc3cccc4c3oc3ccccc34)c1-2
InChIInChI=1S/C55H44N2O/c1-54(2,3)35-27-30-42-45(33-35)55(4,5)44-32-31-37(34-25-28-36(29-26-34)57-48-22-11-7-15-38(48)39-16-8-12-23-49(39)57)51(52(42)44)43-18-6-10-20-46(43)56-47-21-14-19-41-40-17-9-13-24-50(40)58-53(41)47/h6-33,56H,1-5H3
InChIKeyFBCUYEBRZASXAX-UHFFFAOYSA-N
MW748.97 g/mol
LogP15.36
Rot. Bonds5

About N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine

N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine (PubChem CID 170141524) has the molecular formula C55H44N2O and a molecular weight of 748.97 g/mol. Its IUPAC name is N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine
PubChem CID170141524
Molecular FormulaC55H44N2O
Molecular Weight748.97 g/mol
Exact Mass748.35
IUPAC NameN-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccccc3Nc3cccc4c3oc3ccccc34)c1-2
InChIInChI=1S/C55H44N2O/c1-54(2,3)35-27-30-42-45(33-35)55(4,5)44-32-31-37(34-25-28-36(29-26-34)57-48-22-11-7-15-38(48)39-16-8-12-23-49(39)57)51(52(42)44)43-18-6-10-20-46(43)56-47-21-14-19-41-40-17-9-13-24-50(40)58-53(41)47/h6-33,56H,1-5H3
InChIKeyFBCUYEBRZASXAX-UHFFFAOYSA-N
XLogP15.36
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.97
LogP ≤ 515.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-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

2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198
9-(4-dibenzofuran-4-ylphenyl)-3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118099189
2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 157129034
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[b]fluoren-2-yl)indolo[2,3-b]carbazole
CID 126580142
4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine
CID 170141282
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
CID 118099086
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 118099158
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole
CID 126580144

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine (CID 170141524) is N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccccc3Nc3cccc4c3oc3ccccc34)c1-2.
What is the InChIKey of N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine?
The InChIKey is FBCUYEBRZASXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2O/c1-54(2,3)35-27-30-42-45(33-35)55(4,5)44-32-31-37(34-25-28-36(29-26-34)57-48-22-11-7-15-38(48)39-16-8-12-23-49(39)57)51(52(42)44)43-18-6-10-20-46(43)56-47-21-14-19-41-40-17-9-13-24-50(40)58-53(41)47/h6-33,56H,1-5H3.
What are the key properties of N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine?
N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine has a molecular weight of 748.97 g/mol, XLogP of 15.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 170141524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).