N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine

C62H50N2OSi — CID 140708944

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3c5ccc(-c6ccc(N(c7ccccc7)c7ccc([Si](C)(C)C)cc7)cc6)cc5c5ccccc5c43)cc21
InChIInChI=1S/C62H50N2OSi/c1-62(2)57-23-15-14-21-51(57)52-36-31-47(39-58(52)62)64(44-18-10-7-11-19-44)48-32-37-55-59(40-48)65-61-54-35-26-42(38-56(54)50-20-12-13-22-53(50)60(55)61)41-24-27-45(28-25-41)63(43-16-8-6-9-17-43)46-29-33-49(34-30-46)66(3,4)5/h6-40H,1-5H3
InChIKeyYMCZPSFPOOOVJR-UHFFFAOYSA-N
MW867.18 g/mol
LogP17.35
Rot. Bonds8

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine (PubChem CID 140708944) has the molecular formula C62H50N2OSi and a molecular weight of 867.18 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
PubChem CID140708944
Molecular FormulaC62H50N2OSi
Molecular Weight867.18 g/mol
Exact Mass866.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3c5ccc(-c6ccc(N(c7ccccc7)c7ccc([Si](C)(C)C)cc7)cc6)cc5c5ccccc5c43)cc21
InChIInChI=1S/C62H50N2OSi/c1-62(2)57-23-15-14-21-51(57)52-36-31-47(39-58(52)62)64(44-18-10-7-11-19-44)48-32-37-55-59(40-48)65-61-54-35-26-42(38-56(54)50-20-12-13-22-53(50)60(55)61)41-24-27-45(28-25-41)63(43-16-8-6-9-17-43)46-29-33-49(34-30-46)66(3,4)5/h6-40H,1-5H3
InChIKeyYMCZPSFPOOOVJR-UHFFFAOYSA-N
XLogP17.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.18
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine with MolForge

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Related Compounds

N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
CID 157172777
5-N,18-N-diphenyl-5-N-(2-phenylphenyl)-18-N-(4-trimethylsilylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 140708975
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167121601
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170667922
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 159965334
9,9-dimethyl-N-[4-(17-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433236
9,9-dimethyl-N-[4-(19-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433694
9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 123205402
9,9-dimethyl-N-[4-(2-phenylphenanthro[10,9-d][1,3]oxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166889242

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine (CID 140708944) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3c5ccc(-c6ccc(N(c7ccccc7)c7ccc([Si](C)(C)C)cc7)cc6)cc5c5ccccc5c43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?
The InChIKey is YMCZPSFPOOOVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N2OSi/c1-62(2)57-23-15-14-21-51(57)52-36-31-47(39-58(52)62)64(44-18-10-7-11-19-44)48-32-37-55-59(40-48)65-61-54-35-26-42(38-56(54)50-20-12-13-22-53(50)60(55)61)41-24-27-45(28-25-41)63(43-16-8-6-9-17-43)46-29-33-49(34-30-46)66(3,4)5/h6-40H,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine has a molecular weight of 867.18 g/mol, XLogP of 17.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine is sourced from PubChem (CID 140708944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).