N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine

C66H43FN2O — CID 118371198

IUPACN-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine
SMILESCc1cc(-c2ccc(N(c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc2)c2ccc3c(C)c4c(c5ccc1c2c35)c1ccccc1n4-c1ccccc1
InChIInChI=1S/C66H43FN2O/c1-40-37-55(51-35-34-49-41(2)64-63(54-36-33-48(40)61(51)62(49)54)53-24-12-14-26-58(53)68(64)46-21-10-5-11-22-46)44-29-31-47(32-30-44)69(59-27-16-25-52-50-23-13-15-28-60(50)70-66(52)59)65-56(43-19-8-4-9-20-43)38-45(39-57(65)67)42-17-6-3-7-18-42/h3-39H,1-2H3
InChIKeyWNTJIELZCWUIGY-UHFFFAOYSA-N
MW899.08 g/mol
LogP18.81
Rot. Bonds7

About N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine

N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine (PubChem CID 118371198) has the molecular formula C66H43FN2O and a molecular weight of 899.08 g/mol. Its IUPAC name is N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine
PubChem CID118371198
Molecular FormulaC66H43FN2O
Molecular Weight899.08 g/mol
Exact Mass898.34
IUPAC NameN-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine
SMILESCc1cc(-c2ccc(N(c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc2)c2ccc3c(C)c4c(c5ccc1c2c35)c1ccccc1n4-c1ccccc1
InChIInChI=1S/C66H43FN2O/c1-40-37-55(51-35-34-49-41(2)64-63(54-36-33-48(40)61(51)62(49)54)53-24-12-14-26-58(53)68(64)46-21-10-5-11-22-46)44-29-31-47(32-30-44)69(59-27-16-25-52-50-23-13-15-28-60(50)70-66(52)59)65-56(43-19-8-4-9-20-43)38-45(39-57(65)67)42-17-6-3-7-18-42/h3-39H,1-2H3
InChIKeyWNTJIELZCWUIGY-UHFFFAOYSA-N
XLogP18.81
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.08
LogP ≤ 518.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)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

N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline
CID 118371200
N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405637
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788477
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262538
N-dibenzofuran-4-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-2-yl)carbazol-4-amine
CID 177286504
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164790797
bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 165016258
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170243694
5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine
CID 122473536
18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 121476585

Frequently Asked Questions

What is the IUPAC name of N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine (CID 118371198) is N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine is Cc1cc(-c2ccc(N(c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc2)c2ccc3c(C)c4c(c5ccc1c2c35)c1ccccc1n4-c1ccccc1.
What is the InChIKey of N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine?
The InChIKey is WNTJIELZCWUIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43FN2O/c1-40-37-55(51-35-34-49-41(2)64-63(54-36-33-48(40)61(51)62(49)54)53-24-12-14-26-58(53)68(64)46-21-10-5-11-22-46)44-29-31-47(32-30-44)69(59-27-16-25-52-50-23-13-15-28-60(50)70-66(52)59)65-56(43-19-8-4-9-20-43)38-45(39-57(65)67)42-17-6-3-7-18-42/h3-39H,1-2H3.
What are the key properties of N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine?
N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine has a molecular weight of 899.08 g/mol, XLogP of 18.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 118371198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).