9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine

C56H45N — CID 169284444

IUPAC9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine
SMILESCC1(C)c2ccccc2C(=C(c2ccccc2)c2ccccc2)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C56H45N/c1-55(2)49-30-18-15-28-46(49)54(53(39-22-10-6-11-23-39)40-24-12-7-13-25-40)47-36-41(33-35-50(47)55)57(52-31-19-16-26-43(52)38-20-8-5-9-21-38)42-32-34-45-44-27-14-17-29-48(44)56(3,4)51(45)37-42/h5-37H,1-4H3
InChIKeyFWNUVOVHUOMLFW-UHFFFAOYSA-N
MW731.98 g/mol
LogP14.78
Rot. Bonds6

About 9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine

9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine (PubChem CID 169284444) has the molecular formula C56H45N and a molecular weight of 731.98 g/mol. Its IUPAC name is 9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine.

Molecular Properties

Compound Name9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine
PubChem CID169284444
Molecular FormulaC56H45N
Molecular Weight731.98 g/mol
Exact Mass731.36
IUPAC Name9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine
SMILESCC1(C)c2ccccc2C(=C(c2ccccc2)c2ccccc2)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C56H45N/c1-55(2)49-30-18-15-28-46(49)54(53(39-22-10-6-11-23-39)40-24-12-7-13-25-40)47-36-41(33-35-50(47)55)57(52-31-19-16-26-43(52)38-20-8-5-9-21-38)42-32-34-45-44-27-14-17-29-48(44)56(3,4)51(45)37-42/h5-37H,1-4H3
InChIKeyFWNUVOVHUOMLFW-UHFFFAOYSA-N
XLogP14.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.98
LogP ≤ 514.78
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

9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine
CID 169284425
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
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-3-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 178165761
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 121361263
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine
CID 166025160
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 137448810

Frequently Asked Questions

What is the IUPAC name of 9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine?
The IUPAC name of 9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine (CID 169284444) is 9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine.
What is the SMILES notation for 9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine?
The canonical SMILES for 9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine is CC1(C)c2ccccc2C(=C(c2ccccc2)c2ccccc2)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of 9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine?
The InChIKey is FWNUVOVHUOMLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N/c1-55(2)49-30-18-15-28-46(49)54(53(39-22-10-6-11-23-39)40-24-12-7-13-25-40)47-36-41(33-35-50(47)55)57(52-31-19-16-26-43(52)38-20-8-5-9-21-38)42-32-34-45-44-27-14-17-29-48(44)56(3,4)51(45)37-42/h5-37H,1-4H3.
What are the key properties of 9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine?
9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine has a molecular weight of 731.98 g/mol, XLogP of 14.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine is sourced from PubChem (CID 169284444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).