10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine

C60H53N — CID 169284425

IUPAC10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2C3=C(c2ccccc2)c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(-c2ccccc2)c1
InChIInChI=1S/C60H53N/c1-58(2,3)43-31-36-55(50(37-43)40-21-11-8-12-22-40)61(44-32-34-47-46-27-17-19-29-51(46)59(4,5)53(47)38-44)45-33-35-49-54(39-45)60(6,7)52-30-20-18-28-48(52)57(49)56(41-23-13-9-14-24-41)42-25-15-10-16-26-42/h8-39H,1-7H3
InChIKeyUATFPMOVSAMLTD-UHFFFAOYSA-N
MW788.09 g/mol
LogP16.07
Rot. Bonds6

About 10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine

10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine (PubChem CID 169284425) has the molecular formula C60H53N and a molecular weight of 788.09 g/mol. Its IUPAC name is 10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine.

Molecular Properties

Compound Name10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine
PubChem CID169284425
Molecular FormulaC60H53N
Molecular Weight788.09 g/mol
Exact Mass787.42
IUPAC Name10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2C3=C(c2ccccc2)c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(-c2ccccc2)c1
InChIInChI=1S/C60H53N/c1-58(2,3)43-31-36-55(50(37-43)40-21-11-8-12-22-40)61(44-32-34-47-46-27-17-19-29-51(46)59(4,5)53(47)38-44)45-33-35-49-54(39-45)60(6,7)52-30-20-18-28-48(52)57(49)56(41-23-13-9-14-24-41)42-25-15-10-16-26-42/h8-39H,1-7H3
InChIKeyUATFPMOVSAMLTD-UHFFFAOYSA-N
XLogP16.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.09
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine
CID 169284444
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 164529126
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 168750154
N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170291586
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121322790
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine
CID 174308002
N-[2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174308438
N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221133
N-[3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[2-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-[3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 159546850

Frequently Asked Questions

What is the IUPAC name of 10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine?
The IUPAC name of 10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine (CID 169284425) is 10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine.
What is the SMILES notation for 10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine?
The canonical SMILES for 10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2C3=C(c2ccccc2)c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(-c2ccccc2)c1.
What is the InChIKey of 10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine?
The InChIKey is UATFPMOVSAMLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53N/c1-58(2,3)43-31-36-55(50(37-43)40-21-11-8-12-22-40)61(44-32-34-47-46-27-17-19-29-51(46)59(4,5)53(47)38-44)45-33-35-49-54(39-45)60(6,7)52-30-20-18-28-48(52)57(49)56(41-23-13-9-14-24-41)42-25-15-10-16-26-42/h8-39H,1-7H3.
What are the key properties of 10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine?
10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine has a molecular weight of 788.09 g/mol, XLogP of 16.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine is sourced from PubChem (CID 169284425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).