N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine

C59H45NSi — CID 123824374

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C59H45NSi/c1-59(2)55-34-20-19-29-49(55)50-40-39-45(41-56(50)59)60(44-37-35-43(36-38-44)42-21-7-3-8-22-42)57-51-30-15-17-32-53(51)58(54-33-18-16-31-52(54)57)61(46-23-9-4-10-24-46,47-25-11-5-12-26-47)48-27-13-6-14-28-48/h3-41H,1-2H3
InChIKeyPBNYUQTXNIKWOZ-UHFFFAOYSA-N
MW796.10 g/mol
LogP12.81
Rot. Bonds8

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine (PubChem CID 123824374) has the molecular formula C59H45NSi and a molecular weight of 796.10 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine
PubChem CID123824374
Molecular FormulaC59H45NSi
Molecular Weight796.10 g/mol
Exact Mass795.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C59H45NSi/c1-59(2)55-34-20-19-29-49(55)50-40-39-45(41-56(50)59)60(44-37-35-43(36-38-44)42-21-7-3-8-22-42)57-51-30-15-17-32-53(51)58(54-33-18-16-31-52(54)57)61(46-23-9-4-10-24-46,47-25-11-5-12-26-47)48-27-13-6-14-28-48/h3-41H,1-2H3
InChIKeyPBNYUQTXNIKWOZ-UHFFFAOYSA-N
XLogP12.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.10
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

14-N,21-N-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,21-N-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88555488
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 123165581
9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 123205402
N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304244
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine
CID 88951419
5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 138601404
N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine
CID 177294804
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine (CID 123824374) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine?
The InChIKey is PBNYUQTXNIKWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45NSi/c1-59(2)55-34-20-19-29-49(55)50-40-39-45(41-56(50)59)60(44-37-35-43(36-38-44)42-21-7-3-8-22-42)57-51-30-15-17-32-53(51)58(54-33-18-16-31-52(54)57)61(46-23-9-4-10-24-46,47-25-11-5-12-26-47)48-27-13-6-14-28-48/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine has a molecular weight of 796.10 g/mol, XLogP of 12.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-triphenylsilylanthracen-9-amine is sourced from PubChem (CID 123824374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).