N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine

C51H35NO — CID 169060704

IUPACN-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5oc6cc(-c7ccccc7)cc4c6c53)cccc21
InChIInChI=1S/C51H35NO/c1-51(2)43-19-10-9-17-40(43)48-44(51)20-12-21-45(48)52(36-25-23-34(24-26-36)32-13-5-3-6-14-32)37-27-28-38-41(31-37)39-18-11-22-46-49(39)50-42(38)29-35(30-47(50)53-46)33-15-7-4-8-16-33/h3-31H,1-2H3
InChIKeyRIUREWRKTJXIAE-UHFFFAOYSA-N
MW677.85 g/mol
LogP14.44
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine

N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine (PubChem CID 169060704) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine
PubChem CID169060704
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5oc6cc(-c7ccccc7)cc4c6c53)cccc21
InChIInChI=1S/C51H35NO/c1-51(2)43-19-10-9-17-40(43)48-44(51)20-12-21-45(48)52(36-25-23-34(24-26-36)32-13-5-3-6-14-32)37-27-28-38-41(31-37)39-18-11-22-46-49(39)50-42(38)29-35(30-47(50)53-46)33-15-7-4-8-16-33/h3-31H,1-2H3
InChIKeyRIUREWRKTJXIAE-UHFFFAOYSA-N
XLogP14.44
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-6-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169060749
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)phenyl]fluoren-2-amine
CID 169060883
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
CID 170036685
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 161445585
N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine
CID 176728899

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine (CID 169060704) is N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5oc6cc(-c7ccccc7)cc4c6c53)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine?
The InChIKey is RIUREWRKTJXIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-51(2)43-19-10-9-17-40(43)48-44(51)20-12-21-45(48)52(36-25-23-34(24-26-36)32-13-5-3-6-14-32)37-27-28-38-41(31-37)39-18-11-22-46-49(39)50-42(38)29-35(30-47(50)53-46)33-15-7-4-8-16-33/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine?
N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine has a molecular weight of 677.85 g/mol, XLogP of 14.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine is sourced from PubChem (CID 169060704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).