N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C70H49FN2 — CID 58050168

IUPACN-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5c7ccc8cccc9ccc(cc5n6-c5ccc(F)cc5)c7c98)ccc3-4)cc21
InChIInChI=1S/C70H49FN2/c1-69(2)60-16-9-8-15-54(60)56-34-30-52(40-62(56)69)72(50-26-19-43(20-27-50)42-11-6-5-7-12-42)53-31-35-57-55-32-22-47(38-61(55)70(3,4)63(57)41-53)46-23-36-64-59(37-46)68-58-33-21-45-14-10-13-44-17-18-48(67(58)66(44)45)39-65(68)73(64)51-28-24-49(71)25-29-51/h5-41H,1-4H3
InChIKeyLOKOWHKPFFZVSM-UHFFFAOYSA-N
MW937.17 g/mol
LogP19.24
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 58050168) has the molecular formula C70H49FN2 and a molecular weight of 937.17 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID58050168
Molecular FormulaC70H49FN2
Molecular Weight937.17 g/mol
Exact Mass936.39
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5c7ccc8cccc9ccc(cc5n6-c5ccc(F)cc5)c7c98)ccc3-4)cc21
InChIInChI=1S/C70H49FN2/c1-69(2)60-16-9-8-15-54(60)56-34-30-52(40-62(56)69)72(50-26-19-43(20-27-50)42-11-6-5-7-12-42)53-31-35-57-55-32-22-47(38-61(55)70(3,4)63(57)41-53)46-23-36-64-59(37-46)68-58-33-21-45-14-10-13-44-17-18-48(67(58)66(44)45)39-65(68)73(64)51-28-24-49(71)25-29-51/h5-41H,1-4H3
InChIKeyLOKOWHKPFFZVSM-UHFFFAOYSA-N
XLogP19.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.17
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 58050168) is N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5c7ccc8cccc9ccc(cc5n6-c5ccc(F)cc5)c7c98)ccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is LOKOWHKPFFZVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49FN2/c1-69(2)60-16-9-8-15-54(60)56-34-30-52(40-62(56)69)72(50-26-19-43(20-27-50)42-11-6-5-7-12-42)53-31-35-57-55-32-22-47(38-61(55)70(3,4)63(57)41-53)46-23-36-64-59(37-46)68-58-33-21-45-14-10-13-44-17-18-48(67(58)66(44)45)39-65(68)73(64)51-28-24-49(71)25-29-51/h5-41H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 937.17 g/mol, XLogP of 19.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 58050168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).