N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine

C61H47NSi — CID 174110881

IUPACN,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine
SMILESC1=CC2c3ccccc3C(c3ccccc3)(c3ccccc3)C2C=C1N(c1ccccc1)c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C61H47NSi/c1-7-21-48(22-8-1)61(49-23-9-2-10-24-49)59-34-20-19-33-57(59)58-44-41-52(45-60(58)61)62(50-25-11-3-12-26-50)51-39-35-46(36-40-51)47-37-42-56(43-38-47)63(53-27-13-4-14-28-53,54-29-15-5-16-30-54)55-31-17-6-18-32-55/h1-45,58,60H
InChIKeyDHSIGWHCBFHHQU-UHFFFAOYSA-N
MW822.14 g/mol
LogP12.07
Rot. Bonds10

About N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine

N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine (PubChem CID 174110881) has the molecular formula C61H47NSi and a molecular weight of 822.14 g/mol. Its IUPAC name is N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine
PubChem CID174110881
Molecular FormulaC61H47NSi
Molecular Weight822.14 g/mol
Exact Mass821.35
IUPAC NameN,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine
SMILESC1=CC2c3ccccc3C(c3ccccc3)(c3ccccc3)C2C=C1N(c1ccccc1)c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C61H47NSi/c1-7-21-48(22-8-1)61(49-23-9-2-10-24-49)59-34-20-19-33-57(59)58-44-41-52(45-60(58)61)62(50-25-11-3-12-26-50)51-39-35-46(36-40-51)47-37-42-56(43-38-47)63(53-27-13-4-14-28-53,54-29-15-5-16-30-54)55-31-17-6-18-32-55/h1-45,58,60H
InChIKeyDHSIGWHCBFHHQU-UHFFFAOYSA-N
XLogP12.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.14
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
CID 146516748
N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine
CID 155010298
9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene
CID 163685028
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]naphthalen-2-amine
CID 59720596
2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine
CID 88673461
N-(6-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine
CID 166864273
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine
CID 89183056
N-[4-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 157466743
N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine
CID 144640230
N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 163737553
5-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170282180

Frequently Asked Questions

What is the IUPAC name of N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine?
The IUPAC name of N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine (CID 174110881) is N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine.
What is the SMILES notation for N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine?
The canonical SMILES for N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine is C1=CC2c3ccccc3C(c3ccccc3)(c3ccccc3)C2C=C1N(c1ccccc1)c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine?
The InChIKey is DHSIGWHCBFHHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47NSi/c1-7-21-48(22-8-1)61(49-23-9-2-10-24-49)59-34-20-19-33-57(59)58-44-41-52(45-60(58)61)62(50-25-11-3-12-26-50)51-39-35-46(36-40-51)47-37-42-56(43-38-47)63(53-27-13-4-14-28-53,54-29-15-5-16-30-54)55-31-17-6-18-32-55/h1-45,58,60H.
What are the key properties of N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine?
N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine has a molecular weight of 822.14 g/mol, XLogP of 12.07, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine is sourced from PubChem (CID 174110881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).