N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine

C43H30FNO — CID 122493263

IUPACN-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(F)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4O5)cc3)ccc21
InChIInChI=1S/C43H30FNO/c1-43(2)38-12-5-3-8-33(38)37-26-31(22-24-39(37)43)45(30-20-16-28(44)17-21-30)29-18-14-27(15-19-29)32-23-25-41-42-35(32)10-7-11-36(42)34-9-4-6-13-40(34)46-41/h3-26H,1-2H3
InChIKeyGUTPZSWVAAEQIO-UHFFFAOYSA-N
MW595.72 g/mol
LogP12.19
Rot. Bonds4

About N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine

N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine (PubChem CID 122493263) has the molecular formula C43H30FNO and a molecular weight of 595.72 g/mol. Its IUPAC name is N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine
PubChem CID122493263
Molecular FormulaC43H30FNO
Molecular Weight595.72 g/mol
Exact Mass595.23
IUPAC NameN-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(F)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4O5)cc3)ccc21
InChIInChI=1S/C43H30FNO/c1-43(2)38-12-5-3-8-33(38)37-26-31(22-24-39(37)43)45(30-20-16-28(44)17-21-30)29-18-14-27(15-19-29)32-23-25-41-42-35(32)10-7-11-36(42)34-9-4-6-13-40(34)46-41/h3-26H,1-2H3
InChIKeyGUTPZSWVAAEQIO-UHFFFAOYSA-N
XLogP12.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.72
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122493264
12-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N-diphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855950
12-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855781
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine
CID 121357385
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854
5-N,12-N-bis(9,9-dimethylfluoren-2-yl)-5-N,12-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-5,12-diamine
CID 166900756
12-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-5,12-diamine
CID 168855534
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130263988
N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811963
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130264078
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N,4-diphenylaniline
CID 122493194
12-N-(9,9-dimethylfluoren-3-yl)-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855502

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine?
The IUPAC name of N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine (CID 122493263) is N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(F)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4O5)cc3)ccc21.
What is the InChIKey of N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine?
The InChIKey is GUTPZSWVAAEQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30FNO/c1-43(2)38-12-5-3-8-33(38)37-26-31(22-24-39(37)43)45(30-20-16-28(44)17-21-30)29-18-14-27(15-19-29)32-23-25-41-42-35(32)10-7-11-36(42)34-9-4-6-13-40(34)46-41/h3-26H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine?
N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine has a molecular weight of 595.72 g/mol, XLogP of 12.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 122493263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).