6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine

C60H46N2 — CID 91214127

IUPAC6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine
SMILESCC1(C)c2ccc(C=Cc3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C60H46N2/c1-59(2)53-39-36-43(35-37-44-21-20-34-55-58(44)51-32-18-19-33-52(51)60(55,45-22-8-3-9-23-45)46-24-10-4-11-25-46)41-56(53)62(49-30-16-7-17-31-49)57-42-50(38-40-54(57)59)61(47-26-12-5-13-27-47)48-28-14-6-15-29-48/h3-42H,1-2H3
InChIKeyBWWSJMOUIFZIGJ-UHFFFAOYSA-N
MW795.04 g/mol
LogP15.80
Rot. Bonds8

About 6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine

6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine (PubChem CID 91214127) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine.

Molecular Properties

Compound Name6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine
PubChem CID91214127
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine
SMILESCC1(C)c2ccc(C=Cc3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C60H46N2/c1-59(2)53-39-36-43(35-37-44-21-20-34-55-58(44)51-32-18-19-33-52(51)60(55,45-22-8-3-9-23-45)46-24-10-4-11-25-46)41-56(53)62(49-30-16-7-17-31-49)57-42-50(38-40-54(57)59)61(47-26-12-5-13-27-47)48-28-14-6-15-29-48/h3-42H,1-2H3
InChIKeyBWWSJMOUIFZIGJ-UHFFFAOYSA-N
XLogP15.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine with MolForge

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Related Compounds

7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 89074925
7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine
CID 91193814
N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine
CID 89075120
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine
CID 89075111
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
N-(9,9-diphenylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 135168780
N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
CID 167214648
10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
CID 89074953
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168927
N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine
CID 89066758
N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 168750612

Frequently Asked Questions

What is the IUPAC name of 6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine?
The IUPAC name of 6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine (CID 91214127) is 6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine.
What is the SMILES notation for 6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine?
The canonical SMILES for 6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine is CC1(C)c2ccc(C=Cc3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine?
The InChIKey is BWWSJMOUIFZIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-59(2)53-39-36-43(35-37-44-21-20-34-55-58(44)51-32-18-19-33-52(51)60(55,45-22-8-3-9-23-45)46-24-10-4-11-25-46)41-56(53)62(49-30-16-7-17-31-49)57-42-50(38-40-54(57)59)61(47-26-12-5-13-27-47)48-28-14-6-15-29-48/h3-42H,1-2H3.
What are the key properties of 6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine?
6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine has a molecular weight of 795.04 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine is sourced from PubChem (CID 91214127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).